2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine

C13H19N — CID 89394828

IUPAC2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine
SMILESCC1(N)CCC=CC1C1C=CC=CC1
InChIInChI=1S/C13H19N/c1-13(14)10-6-5-9-12(13)11-7-3-2-4-8-11/h2-5,7,9,11-12H,6,8,10,14H2,1H3
InChIKeySEGSFQFWTNHWQW-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.80
Rot. Bonds1

About 2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine

2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine (PubChem CID 89394828) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine
PubChem CID89394828
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine
SMILESCC1(N)CCC=CC1C1C=CC=CC1
InChIInChI=1S/C13H19N/c1-13(14)10-6-5-9-12(13)11-7-3-2-4-8-11/h2-5,7,9,11-12H,6,8,10,14H2,1H3
InChIKeySEGSFQFWTNHWQW-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 11390413
3-Cyclohexene-1-methanamine, alpha,alpha,4-trimethyl-
CID 547150
(S)-2-(4-Methylcyclohex-3-en-1-yl)propan-2-amine
CID 15736831
1-Nonylcyclopent-3-en-1-amine
CID 101845174
1N-Butylanilin
CID 68125233
1-Methyl-4-(propan-2-yl)cyclohex-3-en-1-amine
CID 129834359
p-Dioctylphenylamine
CID 139207875
5-Fluoro-1-heptan-3-ylcyclohexa-2,4-dien-1-amine
CID 67598676
5-(2-Fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine
CID 166775841
(1S)-2,2-difluoro-1-(3-fluoro-1-methylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine
CID 167081860
(1S)-2,2-difluoro-1-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine
CID 167272625
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 14658574

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine (CID 89394828) is 2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine is CC1(N)CCC=CC1C1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine?
The InChIKey is SEGSFQFWTNHWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-13(14)10-6-5-9-12(13)11-7-3-2-4-8-11/h2-5,7,9,11-12H,6,8,10,14H2,1H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine?
2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-1-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 89394828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).