1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine

C95H198F6N10O2 — CID 165089457

IUPAC1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine
SMILESCC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)CC1(C(F)(F)F)CC1.CC(C)CCN1CCOCC1.CC(C)CN(C)C.CC(C)CN1C(C)CCCC1C.CC(C)CN1CC(C)OC(C)C1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CCN(C)CC(C)C
InChIInChI=1S/C11H23N.C10H21NO.C9H15F3.C9H20N2.C9H19NO.2C9H19N.C8H13F3.C8H17N.C7H17N.C6H15N/c1-9(2)8-12-10(3)6-5-7-11(12)4;1-8(2)5-11-6-9(3)12-10(4)7-11;1-7(2,3)6-8(4-5-8)9(10,11)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)3-4-10-5-7-11-8-6-10;2*1-9(2)8-10-6-4-3-5-7-10;1-6(2,3)7(4-5-7)8(9,10)11;1-8(2)7-9-5-3-4-6-9;1-5-8(4)6-7(2)3;1-6(2)5-7(3)4/h9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;4-6H2,1-3H3;9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;4-5H2,1-3H3;8H,3-7H2,1-2H3;7H,5-6H2,1-4H3;6H,5H2,1-4H3
InChIKeyWLOGJWQBFUFXKS-UHFFFAOYSA-N
MW1626.68 g/mol
LogP22.84
Rot. Bonds21

About 1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine

1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine (PubChem CID 165089457) has the molecular formula C95H198F6N10O2 and a molecular weight of 1626.68 g/mol. Its IUPAC name is 1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine
PubChem CID165089457
Molecular FormulaC95H198F6N10O2
Molecular Weight1626.68 g/mol
Exact Mass1625.56
IUPAC Name1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine
SMILESCC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)CC1(C(F)(F)F)CC1.CC(C)CCN1CCOCC1.CC(C)CN(C)C.CC(C)CN1C(C)CCCC1C.CC(C)CN1CC(C)OC(C)C1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CCN(C)CC(C)C
InChIInChI=1S/C11H23N.C10H21NO.C9H15F3.C9H20N2.C9H19NO.2C9H19N.C8H13F3.C8H17N.C7H17N.C6H15N/c1-9(2)8-12-10(3)6-5-7-11(12)4;1-8(2)5-11-6-9(3)12-10(4)7-11;1-7(2,3)6-8(4-5-8)9(10,11)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)3-4-10-5-7-11-8-6-10;2*1-9(2)8-10-6-4-3-5-7-10;1-6(2,3)7(4-5-7)8(9,10)11;1-8(2)7-9-5-3-4-6-9;1-5-8(4)6-7(2)3;1-6(2)5-7(3)4/h9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;4-6H2,1-3H3;9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;4-5H2,1-3H3;8H,3-7H2,1-2H3;7H,5-6H2,1-4H3;6H,5H2,1-4H3
InChIKeyWLOGJWQBFUFXKS-UHFFFAOYSA-N
XLogP22.84
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001626.68
LogP ≤ 522.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine?
The IUPAC name of 1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine (CID 165089457) is 1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine is CC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)CC1(C(F)(F)F)CC1.CC(C)CCN1CCOCC1.CC(C)CN(C)C.CC(C)CN1C(C)CCCC1C.CC(C)CN1CC(C)OC(C)C1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CCN(C)CC(C)C.
What is the InChIKey of 1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine?
The InChIKey is WLOGJWQBFUFXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C10H21NO.C9H15F3.C9H20N2.C9H19NO.2C9H19N.C8H13F3.C8H17N.C7H17N.C6H15N/c1-9(2)8-12-10(3)6-5-7-11(12)4;1-8(2)5-11-6-9(3)12-10(4)7-11;1-7(2,3)6-8(4-5-8)9(10,11)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)3-4-10-5-7-11-8-6-10;2*1-9(2)8-10-6-4-3-5-7-10;1-6(2,3)7(4-5-7)8(9,10)11;1-8(2)7-9-5-3-4-6-9;1-5-8(4)6-7(2)3;1-6(2)5-7(3)4/h9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;4-6H2,1-3H3;9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;4-5H2,1-3H3;8H,3-7H2,1-2H3;7H,5-6H2,1-4H3;6H,5H2,1-4H3.
What are the key properties of 1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine?
1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine has a molecular weight of 1626.68 g/mol, XLogP of 22.84, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-(trifluoromethyl)cyclopropane;2,6-dimethyl-4-(2-methylpropyl)morpholine;2,6-dimethyl-1-(2-methylpropyl)piperidine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;N-ethyl-N,2-dimethylpropan-1-amine;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 165089457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).