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

C17H33N — CID 104986932

IUPAC1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)C1CCC(CCCC)CC1
InChIInChI=1S/C17H33N/c1-4-6-8-10-17(18-3)16-13-11-15(12-14-16)9-7-5-2/h4,15-18H,1,5-14H2,2-3H3
InChIKeyOQXPPIYFIRFLCI-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.93
Rot. Bonds9

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

1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine (PubChem CID 104986932) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine
PubChem CID104986932
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)C1CCC(CCCC)CC1
InChIInChI=1S/C17H33N/c1-4-6-8-10-17(18-3)16-13-11-15(12-14-16)9-7-5-2/h4,15-18H,1,5-14H2,2-3H3
InChIKeyOQXPPIYFIRFLCI-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine
CID 104987009
1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 115834392
N-methyl-1-(4-propylcyclohexyl)heptan-1-amine
CID 65423768
1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine
CID 105033925
1-cyclohexyl-N-methyloct-7-en-1-amine
CID 107008890
1-(3-ethylcyclohexyl)-N-methylhex-5-en-1-amine
CID 65414544
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
2-cyclopropyl-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65423192
1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine
CID 65400751
1-(4-butylcyclohexyl)-N-methylethanamine
CID 115780857

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine?
The IUPAC name of 1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine (CID 104986932) is 1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine?
The canonical SMILES for 1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine is C=CCCCC(NC)C1CCC(CCCC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine?
The InChIKey is OQXPPIYFIRFLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-6-8-10-17(18-3)16-13-11-15(12-14-16)9-7-5-2/h4,15-18H,1,5-14H2,2-3H3.
What are the key properties of 1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine?
1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.93, 9 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-en-1-amine is sourced from PubChem (CID 104986932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).