N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine

C91H195N9 — CID 159987408

IUPACN,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)[C@@H]1CCCN(C(C)C)C1.CC(C)[C@@H]1CCN(C(C)C)C1.CC(C)[C@H]1CCN(C(C)C)C1
InChIInChI=1S/4C11H23N.3C10H21N.C9H21N.C8H19N/c1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-9(2)11-6-5-7-12(8-11)10(3)4;3*1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h4*9-11H,5-8H2,1-4H3;3*8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t;11-;;;2*10-;;;/m.1..10.../s1
InChIKeyOGMYGFLWTYLJEG-BYNONHPTSA-N
MW1415.62 g/mol
LogP22.57
Rot. Bonds22

About N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine

N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 159987408) has the molecular formula C91H195N9 and a molecular weight of 1415.62 g/mol. Its IUPAC name is N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID159987408
Molecular FormulaC91H195N9
Molecular Weight1415.62 g/mol
Exact Mass1414.55
IUPAC NameN,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)[C@@H]1CCCN(C(C)C)C1.CC(C)[C@@H]1CCN(C(C)C)C1.CC(C)[C@H]1CCN(C(C)C)C1
InChIInChI=1S/4C11H23N.3C10H21N.C9H21N.C8H19N/c1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-9(2)11-6-5-7-12(8-11)10(3)4;3*1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h4*9-11H,5-8H2,1-4H3;3*8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t;11-;;;2*10-;;;/m.1..10.../s1
InChIKeyOGMYGFLWTYLJEG-BYNONHPTSA-N
XLogP22.57
TPSA37.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001415.62
LogP ≤ 522.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine (CID 159987408) is N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine is CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)[C@@H]1CCCN(C(C)C)C1.CC(C)[C@@H]1CCN(C(C)C)C1.CC(C)[C@H]1CCN(C(C)C)C1.
What is the InChIKey of N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is OGMYGFLWTYLJEG-BYNONHPTSA-N. The full InChI is InChI=1S/4C11H23N.3C10H21N.C9H21N.C8H19N/c1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-9(2)11-6-5-7-12(8-11)10(3)4;3*1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h4*9-11H,5-8H2,1-4H3;3*8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t;11-;;;2*10-;;;/m.1..10.../s1.
What are the key properties of N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine?
N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 1415.62 g/mol, XLogP of 22.57, 22 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 159987408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).