1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine

C17H29N — CID 114129792

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCCC(CNC(C)C2CC3C=CC2C3)C1
InChIInChI=1S/C17H29N/c1-12-4-3-5-15(8-12)11-18-13(2)17-10-14-6-7-16(17)9-14/h6-7,12-18H,3-5,8-11H2,1-2H3
InChIKeyADIJYUHWAZGYOR-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.00
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 114129792) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
PubChem CID114129792
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCCC(CNC(C)C2CC3C=CC2C3)C1
InChIInChI=1S/C17H29N/c1-12-4-3-5-15(8-12)11-18-13(2)17-10-14-6-7-16(17)9-14/h6-7,12-18H,3-5,8-11H2,1-2H3
InChIKeyADIJYUHWAZGYOR-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.00
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-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine
CID 43775634
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclohexylethyl)ethanamine
CID 63450487
(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81392098
N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103778785
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
CID 43764797
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-methylcyclopentan-1-amine
CID 114543889
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine
CID 114615642
1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107627
N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103884007
N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine
CID 115881238
(1S)-1-(4-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81359380
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-bicyclo[2.2.1]hept-5-enyl)ethanamine
CID 79078583

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine (CID 114129792) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine is CC1CCCC(CNC(C)C2CC3C=CC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is ADIJYUHWAZGYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-12-4-3-5-15(8-12)11-18-13(2)17-10-14-6-7-16(17)9-14/h6-7,12-18H,3-5,8-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 247.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 114129792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).