1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine

C17H31N — CID 105033925

IUPAC1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine
SMILESC#CCCCC(NC)C1CCC(CCCC)CC1
InChIInChI=1S/C17H31N/c1-4-6-8-10-17(18-3)16-13-11-15(12-14-16)9-7-5-2/h1,15-18H,5-14H2,2-3H3
InChIKeyARCAPRZXTCRZRP-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.37
Rot. Bonds8

About 1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine

1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine (PubChem CID 105033925) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine
PubChem CID105033925
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine
SMILESC#CCCCC(NC)C1CCC(CCCC)CC1
InChIInChI=1S/C17H31N/c1-4-6-8-10-17(18-3)16-13-11-15(12-14-16)9-7-5-2/h1,15-18H,5-14H2,2-3H3
InChIKeyARCAPRZXTCRZRP-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-butylcyclohexyl)hex-5-yn-1-ol
CID 115831781
1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 115834392
1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine
CID 65393747
N-methyl-1-(4-propylcyclohexyl)heptan-1-amine
CID 65423768
1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine
CID 104986932
1-cyclopropyl-N-methylpent-4-yn-1-amine
CID 63657715
1-(4-butylcyclohexyl)pent-4-yn-1-amine
CID 115859309
1-(4-butylcyclohexyl)pent-4-yn-1-ol
CID 115799427
1-(4-butylcyclohexyl)but-3-ynylhydrazine
CID 105281413
1-(4-ethylcyclohexyl)hex-5-ynylhydrazine
CID 105231468
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine?
The IUPAC name of 1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine (CID 105033925) is 1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine?
The canonical SMILES for 1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine is C#CCCCC(NC)C1CCC(CCCC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine?
The InChIKey is ARCAPRZXTCRZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-4-6-8-10-17(18-3)16-13-11-15(12-14-16)9-7-5-2/h1,15-18H,5-14H2,2-3H3.
What are the key properties of 1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine?
1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine is sourced from PubChem (CID 105033925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).