3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine

C16H27N — CID 79551155

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCC1(C)CC(CC2CC3CCC2C3)=CC(N)C1
InChIInChI=1S/C16H27N/c1-16(2)9-12(8-15(17)10-16)7-14-6-11-3-4-13(14)5-11/h8,11,13-15H,3-7,9-10,17H2,1-2H3
InChIKeyBAWYAKXVFQMTQG-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.89
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine

3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine (PubChem CID 79551155) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine
PubChem CID79551155
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCC1(C)CC(CC2CC3CCC2C3)=CC(N)C1
InChIInChI=1S/C16H27N/c1-16(2)9-12(8-15(17)10-16)7-14-6-11-3-4-13(14)5-11/h8,11,13-15H,3-7,9-10,17H2,1-2H3
InChIKeyBAWYAKXVFQMTQG-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.89
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

3-but-2-ynyl-5,5-dimethylcyclohex-2-en-1-amine
CID 65177024
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine
CID 65177413
3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one
CID 107382914
3-(3-ethylsulfonylpropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65177248
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
CID 65177525
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane
CID 19890420
2-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-5-methyl-1,3-thiazol-4-one
CID 58048064

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine (CID 79551155) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine is CC1(C)CC(CC2CC3CCC2C3)=CC(N)C1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is BAWYAKXVFQMTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-16(2)9-12(8-15(17)10-16)7-14-6-11-3-4-13(14)5-11/h8,11,13-15H,3-7,9-10,17H2,1-2H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine?
3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 79551155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).