N-(cyclopentylmethyl)-3-methylbutan-1-amine

C11H23N — CID 43317373

IUPACN-(cyclopentylmethyl)-3-methylbutan-1-amine
SMILESCC(C)CCNCC1CCCC1
InChIInChI=1S/C11H23N/c1-10(2)7-8-12-9-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3
InChIKeySFJVVMBRQRTBHK-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds5

About N-(cyclopentylmethyl)-3-methylbutan-1-amine

N-(cyclopentylmethyl)-3-methylbutan-1-amine (PubChem CID 43317373) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-methylbutan-1-amine
PubChem CID43317373
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(cyclopentylmethyl)-3-methylbutan-1-amine
SMILESCC(C)CCNCC1CCCC1
InChIInChI=1S/C11H23N/c1-10(2)7-8-12-9-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3
InChIKeySFJVVMBRQRTBHK-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
CID 115203257
4-(cyclopentylmethylamino)-2-methylbutanoic acid
CID 115220780
N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine
CID 89099495
N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
CID 81094479
4-chloro-N-(cyclopentylmethyl)pentan-1-amine
CID 106122016
1-(cyclohexylmethylamino)pentan-3-ol
CID 115757169
N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 142367999
N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine
CID 62582719
(2R)-4-(cyclopropylmethylamino)butan-2-ol
CID 96500070

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-methylbutan-1-amine?
The IUPAC name of N-(cyclopentylmethyl)-3-methylbutan-1-amine (CID 43317373) is N-(cyclopentylmethyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-3-methylbutan-1-amine?
The canonical SMILES for N-(cyclopentylmethyl)-3-methylbutan-1-amine is CC(C)CCNCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-3-methylbutan-1-amine?
The InChIKey is SFJVVMBRQRTBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2)7-8-12-9-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-3-methylbutan-1-amine?
N-(cyclopentylmethyl)-3-methylbutan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 43317373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).