2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine

C16H27N — CID 63504992

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)C1=CCCCC1
InChIInChI=1S/C16H27N/c1-17-16(13-5-3-2-4-6-13)11-15-10-12-7-8-14(15)9-12/h5,12,14-17H,2-4,6-11H2,1H3
InChIKeyIMYZBEWCEADMMP-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.90
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine (PubChem CID 63504992) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine
PubChem CID63504992
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)C1=CCCCC1
InChIInChI=1S/C16H27N/c1-17-16(13-5-3-2-4-6-13)11-15-10-12-7-8-14(15)9-12/h5,12,14-17H,2-4,6-11H2,1H3
InChIKeyIMYZBEWCEADMMP-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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

2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-pyridin-2-ylethanamine
CID 79558657
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine
CID 43485358
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 105012696
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 43480253
1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine
CID 106653171
2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine
CID 79988682
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 105167864
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethoxyphenyl)-N-methylethanamine
CID 105012745
1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine
CID 43485837
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792090
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dichlorophenyl)-N-methylethanamine
CID 63502583
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 79562379

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine (CID 63504992) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine is CNC(CC1CC2CCC1C2)C1=CCCCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine?
The InChIKey is IMYZBEWCEADMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-17-16(13-5-3-2-4-6-13)11-15-10-12-7-8-14(15)9-12/h5,12,14-17H,2-4,6-11H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine has a molecular weight of 233.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine is sourced from PubChem (CID 63504992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).