3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine

C14H29N — CID 115782159

IUPAC3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine
SMILESCC(C)CC(N)C1(CC(C)C)CCCC1
InChIInChI=1S/C14H29N/c1-11(2)9-13(15)14(10-12(3)4)7-5-6-8-14/h11-13H,5-10,15H2,1-4H3
InChIKeyQSNVNDWGZRDIPC-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.97
Rot. Bonds5

About 3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine

3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine (PubChem CID 115782159) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine
PubChem CID115782159
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine
SMILESCC(C)CC(N)C1(CC(C)C)CCCC1
InChIInChI=1S/C14H29N/c1-11(2)9-13(15)14(10-12(3)4)7-5-6-8-14/h11-13H,5-10,15H2,1-4H3
InChIKeyQSNVNDWGZRDIPC-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Butylcyclohexylamine
CID 79396
Spiro[4.5]decan-8-amine hydrochloride
CID 21483272
2-Methylcycloheptan-1-amine
CID 14810387
2-Tert-butylcyclohexan-1-amine
CID 520760
Spiro[4.5]decan-8-amine
CID 21483273
2-Cyclooctyl-1-methyl-ethylamine
CID 44272800
5-Ethylnonan-2-amine
CID 24805
1-(2,2,3-Trimethylcyclopentyl)propan-2-amine--hydrogen chloride (1/1)
CID 216686
alpha-Methylcyclopentaneethanamine
CID 7743
1-Cyclohexyl-2,2-dimethylpropan-1-amine
CID 13739369
Spiro[4.5]decan-6-amine
CID 15021867
Spiro[4.4]nonan-1-amine
CID 15021870

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine?
The IUPAC name of 3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine (CID 115782159) is 3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine is CC(C)CC(N)C1(CC(C)C)CCCC1.
What is the InChIKey of 3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine?
The InChIKey is QSNVNDWGZRDIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11(2)9-13(15)14(10-12(3)4)7-5-6-8-14/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine?
3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine is sourced from PubChem (CID 115782159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).