N-(1-cyclohexylethyl)butan-1-amine

C12H25N — CID 43759355

IUPACN-(1-cyclohexylethyl)butan-1-amine
SMILESCCCCNC(C)C1CCCCC1
InChIInChI=1S/C12H25N/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3
InChIKeyQZPGYUBPGMWJQX-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.34
Rot. Bonds5

About N-(1-cyclohexylethyl)butan-1-amine

N-(1-cyclohexylethyl)butan-1-amine (PubChem CID 43759355) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)butan-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)butan-1-amine
PubChem CID43759355
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(1-cyclohexylethyl)butan-1-amine
SMILESCCCCNC(C)C1CCCCC1
InChIInChI=1S/C12H25N/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3
InChIKeyQZPGYUBPGMWJQX-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)butan-1-amine?
The IUPAC name of N-(1-cyclohexylethyl)butan-1-amine (CID 43759355) is N-(1-cyclohexylethyl)butan-1-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)butan-1-amine?
The canonical SMILES for N-(1-cyclohexylethyl)butan-1-amine is CCCCNC(C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)butan-1-amine?
The InChIKey is QZPGYUBPGMWJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(1-cyclohexylethyl)butan-1-amine?
N-(1-cyclohexylethyl)butan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)butan-1-amine is sourced from PubChem (CID 43759355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).