[2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine

C16H29N — CID 114246999

IUPAC[2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(C2CC3CCC2C3)C1
InChIInChI=1S/C16H29N/c1-2-11-3-6-14(10-17)16(8-11)15-9-12-4-5-13(15)7-12/h11-16H,2-10,17H2,1H3
InChIKeyVMDYVGDQYVNLSK-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.82
Rot. Bonds3

About [2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine

[2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine (PubChem CID 114246999) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine
PubChem CID114246999
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name[2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(C2CC3CCC2C3)C1
InChIInChI=1S/C16H29N/c1-2-11-3-6-14(10-17)16(8-11)15-9-12-4-5-13(15)7-12/h11-16H,2-10,17H2,1H3
InChIKeyVMDYVGDQYVNLSK-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine (CID 114246999) is [2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(C2CC3CCC2C3)C1.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine?
The InChIKey is VMDYVGDQYVNLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-2-11-3-6-14(10-17)16(8-11)15-9-12-4-5-13(15)7-12/h11-16H,2-10,17H2,1H3.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine?
[2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine has a molecular weight of 235.41 g/mol, XLogP of 3.82, 3 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)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 114246999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).