1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine

C16H27N — CID 43775634

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine
SMILESCC(NCC1CCCCC1)C1CC2C=CC1C2
InChIInChI=1S/C16H27N/c1-12(16-10-14-7-8-15(16)9-14)17-11-13-5-3-2-4-6-13/h7-8,12-17H,2-6,9-11H2,1H3
InChIKeyDMLVKWBGOBGMQP-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.76
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine (PubChem CID 43775634) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine
PubChem CID43775634
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine
SMILESCC(NCC1CCCCC1)C1CC2C=CC1C2
InChIInChI=1S/C16H27N/c1-12(16-10-14-7-8-15(16)9-14)17-11-13-5-3-2-4-6-13/h7-8,12-17H,2-6,9-11H2,1H3
InChIKeyDMLVKWBGOBGMQP-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
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-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclohexylethyl)ethanamine
CID 63450487
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 114129792
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine
CID 43770845
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]-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
methyl 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoate
CID 43774728
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
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
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide
CID 43777968

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine (CID 43775634) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine is CC(NCC1CCCCC1)C1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine?
The InChIKey is DMLVKWBGOBGMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12(16-10-14-7-8-15(16)9-14)17-11-13-5-3-2-4-6-13/h7-8,12-17H,2-6,9-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine has a molecular weight of 233.40 g/mol, XLogP of 3.76, 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-(cyclohexylmethyl)ethanamine is sourced from PubChem (CID 43775634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).