1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine

C14H27N — CID 79179369

IUPAC1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CCCCC1
InChIInChI=1S/C14H27N/c1-4-10-15-14(11-12(2)3)13-8-6-5-7-9-13/h13-15H,2,4-11H2,1,3H3
InChIKeyOUCFYVATJLKSQB-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.90
Rot. Bonds6

About 1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine

1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine (PubChem CID 79179369) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine
PubChem CID79179369
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CCCCC1
InChIInChI=1S/C14H27N/c1-4-10-15-14(11-12(2)3)13-8-6-5-7-9-13/h13-15H,2,4-11H2,1,3H3
InChIKeyOUCFYVATJLKSQB-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 79185086
3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine
CID 79185600
1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004175
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
3-methyl-1-(2-methylcyclopentyl)-N-propylbut-3-en-1-amine
CID 107189757
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089211
3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine
CID 105004284
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-ethyl-3-methyl-1-(oxan-4-yl)but-3-en-1-amine
CID 79186658

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine?
The IUPAC name of 1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine (CID 79179369) is 1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine is C=C(C)CC(NCCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine?
The InChIKey is OUCFYVATJLKSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-10-15-14(11-12(2)3)13-8-6-5-7-9-13/h13-15H,2,4-11H2,1,3H3.
What are the key properties of 1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine?
1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine is sourced from PubChem (CID 79179369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).