N-[(2-butylcyclohexyl)methyl]propan-1-amine

C14H29N — CID 81028150

IUPACN-[(2-butylcyclohexyl)methyl]propan-1-amine
SMILESCCCCC1CCCCC1CNCCC
InChIInChI=1S/C14H29N/c1-3-5-8-13-9-6-7-10-14(13)12-15-11-4-2/h13-15H,3-12H2,1-2H3
InChIKeyRWRLFXAYJAFNHV-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds7

About N-[(2-butylcyclohexyl)methyl]propan-1-amine

N-[(2-butylcyclohexyl)methyl]propan-1-amine (PubChem CID 81028150) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-[(2-butylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-butylcyclohexyl)methyl]propan-1-amine
PubChem CID81028150
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-[(2-butylcyclohexyl)methyl]propan-1-amine
SMILESCCCCC1CCCCC1CNCCC
InChIInChI=1S/C14H29N/c1-3-5-8-13-9-6-7-10-14(13)12-15-11-4-2/h13-15H,3-12H2,1-2H3
InChIKeyRWRLFXAYJAFNHV-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
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-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144
N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine
CID 81027900
N-[(2-decylcyclohexyl)methyl]ethanamine
CID 81027246
N-[[2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-1-amine
CID 114477721
2-(butylaminomethyl)cyclohexan-1-amine
CID 64850484
N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 81026864
N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 116628168
N-[(2-prop-2-enylcyclohexyl)methyl]propan-1-amine
CID 81027769
N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025790
N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine
CID 81025395
N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
CID 106735490

Frequently Asked Questions

What is the IUPAC name of N-[(2-butylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-butylcyclohexyl)methyl]propan-1-amine (CID 81028150) is N-[(2-butylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-butylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-butylcyclohexyl)methyl]propan-1-amine is CCCCC1CCCCC1CNCCC.
What is the InChIKey of N-[(2-butylcyclohexyl)methyl]propan-1-amine?
The InChIKey is RWRLFXAYJAFNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-5-8-13-9-6-7-10-14(13)12-15-11-4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[(2-butylcyclohexyl)methyl]propan-1-amine?
N-[(2-butylcyclohexyl)methyl]propan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 81028150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).