1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine

C15H27N — CID 105039219

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)C1C2CCCCC21
InChIInChI=1S/C15H27N/c1-4-16-14(10-9-11(2)3)15-12-7-5-6-8-13(12)15/h12-16H,2,4-10H2,1,3H3
InChIKeyLGFUIPUPBAOHHY-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.76
Rot. Bonds6

About 1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine

1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine (PubChem CID 105039219) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine
PubChem CID105039219
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)C1C2CCCCC21
InChIInChI=1S/C15H27N/c1-4-16-14(10-9-11(2)3)15-12-7-5-6-8-13(12)15/h12-16H,2,4-10H2,1,3H3
InChIKeyLGFUIPUPBAOHHY-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.76
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-(7-bicyclo[4.1.0]heptanyl)-3-methylbut-3-enyl]hydrazine
CID 105319620
1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine
CID 115832332
1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine
CID 105039575
1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine
CID 105027980
1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114475034
1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine
CID 115849575
[4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pent-4-enyl]hydrazine
CID 105336006
N-ethyl-3-methyl-1-(oxan-2-yl)but-3-en-1-amine
CID 105004067
1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030487
1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 79185954
[1-(3-ethylcyclohexyl)-4-methylpent-4-enyl]hydrazine
CID 105232886
1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412597

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine (CID 105039219) is 1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine is C=C(C)CCC(NCC)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine?
The InChIKey is LGFUIPUPBAOHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-4-16-14(10-9-11(2)3)15-12-7-5-6-8-13(12)15/h12-16H,2,4-10H2,1,3H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine?
1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine is sourced from PubChem (CID 105039219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).