N-butylcyclohexanamine

C10H21N — CID 24946

IUPACN-butylcyclohexanamine
SMILESCCCCNC1CCCCC1
InChIInChI=1S/C10H21N/c1-2-3-9-11-10-7-5-4-6-8-10/h10-11H,2-9H2,1H3
InChIKeyVXXLEXCQCSPKFI-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.71
Rot. Bonds4

About N-butylcyclohexanamine

N-butylcyclohexanamine (PubChem CID 24946) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-butylcyclohexanamine.

Molecular Properties

Compound NameN-butylcyclohexanamine
PubChem CID24946
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-butylcyclohexanamine
SMILESCCCCNC1CCCCC1
InChIInChI=1S/C10H21N/c1-2-3-9-11-10-7-5-4-6-8-10/h10-11H,2-9H2,1H3
InChIKeyVXXLEXCQCSPKFI-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.71
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

2-Methylpiperidine
CID 7974
Dicyclohexylamine
CID 7582
(+)-Coniine
CID 441072
2-Propylpiperidine
CID 9985
N-Methylcyclohexylamine
CID 7514
N-Ethyl cyclohexylamine
CID 21609
Dihexylamine
CID 8920
Cyclohexylisopropylamine
CID 62386
N-Cyclohexyl-1,3-propanediamine
CID 18718
Diheptylamine
CID 75580
Dicyclohexylamine hydrochloride
CID 2793652
(S)-(+)-2-Methylpiperidine
CID 6427443

Frequently Asked Questions

What is the IUPAC name of N-butylcyclohexanamine?
The IUPAC name of N-butylcyclohexanamine (CID 24946) is N-butylcyclohexanamine.
What is the SMILES notation for N-butylcyclohexanamine?
The canonical SMILES for N-butylcyclohexanamine is CCCCNC1CCCCC1.
What is the InChIKey of N-butylcyclohexanamine?
The InChIKey is VXXLEXCQCSPKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-2-3-9-11-10-7-5-4-6-8-10/h10-11H,2-9H2,1H3.
What are the key properties of N-butylcyclohexanamine?
N-butylcyclohexanamine has a molecular weight of 155.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcyclohexanamine is sourced from PubChem (CID 24946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).