2-(butylaminomethyl)cyclohexan-1-amine

C11H24N2 — CID 64850484

IUPAC2-(butylaminomethyl)cyclohexan-1-amine
SMILESCCCCNCC1CCCCC1N
InChIInChI=1S/C11H24N2/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h10-11,13H,2-9,12H2,1H3
InChIKeyHDVRJKMYKJUQJQ-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.89
Rot. Bonds5

About 2-(butylaminomethyl)cyclohexan-1-amine

2-(butylaminomethyl)cyclohexan-1-amine (PubChem CID 64850484) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-(butylaminomethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(butylaminomethyl)cyclohexan-1-amine
PubChem CID64850484
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-(butylaminomethyl)cyclohexan-1-amine
SMILESCCCCNCC1CCCCC1N
InChIInChI=1S/C11H24N2/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h10-11,13H,2-9,12H2,1H3
InChIKeyHDVRJKMYKJUQJQ-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]butan-1-amine;dihydrochloride
CID 112756302
2-pentylcyclohexan-1-amine
CID 23132313
cyclohexanamine;N-ethylbutan-1-amine
CID 22649799
trans-(1S,2S)-2-[(2-pyrrolidin-1-ylethylamino)methyl]cyclohexan-1-amine
CID 66594466
N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
(1S)-2-(methylaminomethyl)cyclohexan-1-amine
CID 129138174
2-heptylcyclohexan-1-amine
CID 23132318
2-dodecylcyclohexan-1-amine
CID 63400047
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N-[(2-decylcyclohexyl)methyl]ethanamine
CID 81027246

Frequently Asked Questions

What is the IUPAC name of 2-(butylaminomethyl)cyclohexan-1-amine?
The IUPAC name of 2-(butylaminomethyl)cyclohexan-1-amine (CID 64850484) is 2-(butylaminomethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(butylaminomethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(butylaminomethyl)cyclohexan-1-amine is CCCCNCC1CCCCC1N.
What is the InChIKey of 2-(butylaminomethyl)cyclohexan-1-amine?
The InChIKey is HDVRJKMYKJUQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 2-(butylaminomethyl)cyclohexan-1-amine?
2-(butylaminomethyl)cyclohexan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylaminomethyl)cyclohexan-1-amine is sourced from PubChem (CID 64850484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).