1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane

C91H198FN11 — CID 159937529

IUPAC1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane
SMILESC.C.C.CC(C)(C)CCN1CC1.CC(C)(C)CCN1CCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCN1CCN(CC(C)(C)F)CC1.CC(C)CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C14H29FN2.C14H30N2.C11H24N2.2C11H23N.C10H21N.C9H19N.C8H17N.3CH4/c1-13(2,3)6-7-16-8-10-17(11-9-16)12-14(4,5)15;1-13(2)12-16-10-8-15(9-11-16)7-6-14(3,4)5;1-11(2,3)5-6-13-9-7-12(4)8-10-13;2*1-11(2,3)7-10-12-8-5-4-6-9-12;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)5-8-10-6-4-7-10;1-8(2,3)4-5-9-6-7-9;;;/h6-12H2,1-5H3;13H,6-12H2,1-5H3;5-10H2,1-4H3;2*4-10H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;3*1H4
InChIKeyOALHCLZEJJEDKL-UHFFFAOYSA-N
MW1465.66 g/mol
LogP21.26
Rot. Bonds20

About 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane

1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane (PubChem CID 159937529) has the molecular formula C91H198FN11 and a molecular weight of 1465.66 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane
PubChem CID159937529
Molecular FormulaC91H198FN11
Molecular Weight1465.66 g/mol
Exact Mass1464.58
IUPAC Name1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane
SMILESC.C.C.CC(C)(C)CCN1CC1.CC(C)(C)CCN1CCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCN1CCN(CC(C)(C)F)CC1.CC(C)CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C14H29FN2.C14H30N2.C11H24N2.2C11H23N.C10H21N.C9H19N.C8H17N.3CH4/c1-13(2,3)6-7-16-8-10-17(11-9-16)12-14(4,5)15;1-13(2)12-16-10-8-15(9-11-16)7-6-14(3,4)5;1-11(2,3)5-6-13-9-7-12(4)8-10-13;2*1-11(2,3)7-10-12-8-5-4-6-9-12;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)5-8-10-6-4-7-10;1-8(2,3)4-5-9-6-7-9;;;/h6-12H2,1-5H3;13H,6-12H2,1-5H3;5-10H2,1-4H3;2*4-10H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;3*1H4
InChIKeyOALHCLZEJJEDKL-UHFFFAOYSA-N
XLogP21.26
TPSA35.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001465.66
LogP ≤ 521.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane with MolForge

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Related Compounds

1,4-Dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine
CID 157252650
1-(2-Fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
CID 157293299
Bis(1,4-dimethylpiperidine);4-fluoro-1,4-dimethylpiperidine;methane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,4,4-trimethylpiperidine
CID 161015276
Bis(1,4-dimethylpiperidine);4-fluoro-1,4-dimethylpiperidine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,4,4-trimethylpiperidine
CID 161217458

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane?
The IUPAC name of 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane (CID 159937529) is 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane.
What is the SMILES notation for 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane?
The canonical SMILES for 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane is C.C.C.CC(C)(C)CCN1CC1.CC(C)(C)CCN1CCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCN1CCN(CC(C)(C)F)CC1.CC(C)CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane?
The InChIKey is OALHCLZEJJEDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2.C14H30N2.C11H24N2.2C11H23N.C10H21N.C9H19N.C8H17N.3CH4/c1-13(2,3)6-7-16-8-10-17(11-9-16)12-14(4,5)15;1-13(2)12-16-10-8-15(9-11-16)7-6-14(3,4)5;1-11(2,3)5-6-13-9-7-12(4)8-10-13;2*1-11(2,3)7-10-12-8-5-4-6-9-12;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)5-8-10-6-4-7-10;1-8(2,3)4-5-9-6-7-9;;;/h6-12H2,1-5H3;13H,6-12H2,1-5H3;5-10H2,1-4H3;2*4-10H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;3*1H4.
What are the key properties of 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane?
1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane has a molecular weight of 1465.66 g/mol, XLogP of 21.26, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane is sourced from PubChem (CID 159937529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).