2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine

C14H23N — CID 71234828

IUPAC2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine
SMILESCC1CCCCC1(C)C1=C(N)CCC=C1
InChIInChI=1S/C14H23N/c1-11-7-5-6-10-14(11,2)12-8-3-4-9-13(12)15/h3,8,11H,4-7,9-10,15H2,1-2H3
InChIKeyAIZWDQIKUVVTSZ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.77
Rot. Bonds1

About 2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine

2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine (PubChem CID 71234828) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine
PubChem CID71234828
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine
SMILESCC1CCCCC1(C)C1=C(N)CCC=C1
InChIInChI=1S/C14H23N/c1-11-7-5-6-10-14(11,2)12-8-3-4-9-13(12)15/h3,8,11H,4-7,9-10,15H2,1-2H3
InChIKeyAIZWDQIKUVVTSZ-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine (CID 71234828) is 2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine is CC1CCCCC1(C)C1=C(N)CCC=C1.
What is the InChIKey of 2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is AIZWDQIKUVVTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11-7-5-6-10-14(11,2)12-8-3-4-9-13(12)15/h3,8,11H,4-7,9-10,15H2,1-2H3.
What are the key properties of 2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine?
2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylcyclohexyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 71234828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).