2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine

C17H29N — CID 71234868

IUPAC2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine
SMILESCC(C)CNC1=C(C2CCCCC2C)CCC=C1
InChIInChI=1S/C17H29N/c1-13(2)12-18-17-11-7-6-10-16(17)15-9-5-4-8-14(15)3/h7,11,13-15,18H,4-6,8-10,12H2,1-3H3
InChIKeyDYXUSGWTPPWYEN-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.66
Rot. Bonds4

About 2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine

2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine (PubChem CID 71234868) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine
PubChem CID71234868
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine
SMILESCC(C)CNC1=C(C2CCCCC2C)CCC=C1
InChIInChI=1S/C17H29N/c1-13(2)12-18-17-11-7-6-10-16(17)15-9-5-4-8-14(15)3/h7,11,13-15,18H,4-6,8-10,12H2,1-3H3
InChIKeyDYXUSGWTPPWYEN-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine (CID 71234868) is 2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine is CC(C)CNC1=C(C2CCCCC2C)CCC=C1.
What is the InChIKey of 2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is DYXUSGWTPPWYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-13(2)12-18-17-11-7-6-10-16(17)15-9-5-4-8-14(15)3/h7,11,13-15,18H,4-6,8-10,12H2,1-3H3.
What are the key properties of 2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine?
2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 71234868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).