1-cyclohexyl-2-methyl-N-propylhexan-1-amine

C16H33N — CID 114246260

IUPAC1-cyclohexyl-2-methyl-N-propylhexan-1-amine
SMILESCCCCC(C)C(NCCC)C1CCCCC1
InChIInChI=1S/C16H33N/c1-4-6-10-14(3)16(17-13-5-2)15-11-8-7-9-12-15/h14-17H,4-13H2,1-3H3
InChIKeyIXBFAHAQTJYFCR-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds8

About 1-cyclohexyl-2-methyl-N-propylhexan-1-amine

1-cyclohexyl-2-methyl-N-propylhexan-1-amine (PubChem CID 114246260) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-N-propylhexan-1-amine
PubChem CID114246260
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-cyclohexyl-2-methyl-N-propylhexan-1-amine
SMILESCCCCC(C)C(NCCC)C1CCCCC1
InChIInChI=1S/C16H33N/c1-4-6-10-14(3)16(17-13-5-2)15-11-8-7-9-12-15/h14-17H,4-13H2,1-3H3
InChIKeyIXBFAHAQTJYFCR-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
1-cyclopropyl-2-ethyl-N-propylhexan-1-amine
CID 104994116
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689
1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103311644
1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine
CID 116718387
(4-methyl-3-propyloctan-2-yl)cyclobutane
CID 20695675
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
(1-cyclopentyl-2-methylpentyl)hydrazine
CID 105282461

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-cyclohexyl-2-methyl-N-propylhexan-1-amine (CID 114246260) is 1-cyclohexyl-2-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-cyclohexyl-2-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-cyclohexyl-2-methyl-N-propylhexan-1-amine is CCCCC(C)C(NCCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methyl-N-propylhexan-1-amine?
The InChIKey is IXBFAHAQTJYFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-6-10-14(3)16(17-13-5-2)15-11-8-7-9-12-15/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-methyl-N-propylhexan-1-amine?
1-cyclohexyl-2-methyl-N-propylhexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 114246260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).