[2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine

C17H31N — CID 114247002

IUPAC[2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(C2CC3CCC2C3)C1
InChIInChI=1S/C17H31N/c1-11(2)13-5-6-15(10-18)17(9-13)16-8-12-3-4-14(16)7-12/h11-17H,3-10,18H2,1-2H3
InChIKeyPXILPXQWVXLZSO-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.07
Rot. Bonds3

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

[2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 114247002) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID114247002
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name[2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(C2CC3CCC2C3)C1
InChIInChI=1S/C17H31N/c1-11(2)13-5-6-15(10-18)17(9-13)16-8-12-3-4-14(16)7-12/h11-17H,3-10,18H2,1-2H3
InChIKeyPXILPXQWVXLZSO-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine (CID 114247002) is [2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)C(C2CC3CCC2C3)C1.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is PXILPXQWVXLZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-11(2)13-5-6-15(10-18)17(9-13)16-8-12-3-4-14(16)7-12/h11-17H,3-10,18H2,1-2H3.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine?
[2-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 249.44 g/mol, XLogP of 4.07, 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-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 114247002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).