N-butyl-2-cyclohexyl-4-methylpentan-1-amine

C16H33N — CID 19893664

IUPACN-butyl-2-cyclohexyl-4-methylpentan-1-amine
SMILESCCCCNCC(CC(C)C)C1CCCCC1
InChIInChI=1S/C16H33N/c1-4-5-11-17-13-16(12-14(2)3)15-9-7-6-8-10-15/h14-17H,4-13H2,1-3H3
InChIKeyXREZNOINJONOOJ-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds8

About N-butyl-2-cyclohexyl-4-methylpentan-1-amine

N-butyl-2-cyclohexyl-4-methylpentan-1-amine (PubChem CID 19893664) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-butyl-2-cyclohexyl-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-butyl-2-cyclohexyl-4-methylpentan-1-amine
PubChem CID19893664
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-butyl-2-cyclohexyl-4-methylpentan-1-amine
SMILESCCCCNCC(CC(C)C)C1CCCCC1
InChIInChI=1S/C16H33N/c1-4-5-11-17-13-16(12-14(2)3)15-9-7-6-8-10-15/h14-17H,4-13H2,1-3H3
InChIKeyXREZNOINJONOOJ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
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-butyl-2-cyclohexyl-4-methylpentan-1-amine?
The IUPAC name of N-butyl-2-cyclohexyl-4-methylpentan-1-amine (CID 19893664) is N-butyl-2-cyclohexyl-4-methylpentan-1-amine.
What is the SMILES notation for N-butyl-2-cyclohexyl-4-methylpentan-1-amine?
The canonical SMILES for N-butyl-2-cyclohexyl-4-methylpentan-1-amine is CCCCNCC(CC(C)C)C1CCCCC1.
What is the InChIKey of N-butyl-2-cyclohexyl-4-methylpentan-1-amine?
The InChIKey is XREZNOINJONOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-5-11-17-13-16(12-14(2)3)15-9-7-6-8-10-15/h14-17H,4-13H2,1-3H3.
What are the key properties of N-butyl-2-cyclohexyl-4-methylpentan-1-amine?
N-butyl-2-cyclohexyl-4-methylpentan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-cyclohexyl-4-methylpentan-1-amine is sourced from PubChem (CID 19893664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).