2-cyclohexa-2,4-dien-1-yl-N-methylethanamine

C9H15N — CID 21325368

IUPAC2-cyclohexa-2,4-dien-1-yl-N-methylethanamine
SMILESCNCCC1C=CC=CC1
InChIInChI=1S/C9H15N/c1-10-8-7-9-5-3-2-4-6-9/h2-5,9-10H,6-8H2,1H3
InChIKeyYHFRQQJZBUJHFE-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.73
Rot. Bonds3

About 2-cyclohexa-2,4-dien-1-yl-N-methylethanamine

2-cyclohexa-2,4-dien-1-yl-N-methylethanamine (PubChem CID 21325368) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-N-methylethanamine
PubChem CID21325368
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-cyclohexa-2,4-dien-1-yl-N-methylethanamine
SMILESCNCCC1C=CC=CC1
InChIInChI=1S/C9H15N/c1-10-8-7-9-5-3-2-4-6-9/h2-5,9-10H,6-8H2,1H3
InChIKeyYHFRQQJZBUJHFE-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-cyclohex-3-en-1-yl]-N-methylmethanamine;hydrochloride
CID 177798572
1-[(1S)-cyclohex-3-en-1-yl]-N-methylmethanamine;hydrochloride
CID 177798581
CID 178190289
CID 178190289
Dihydrophenylethylamine
CID 14846436
2-(Cyclopenta-2,4-dien-1-yl)-N-methylethanamine
CID 12109886
2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 15392411
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807
2-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123678062
(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine
CID 129210432
4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine
CID 134365700
1-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 138478275

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-N-methylethanamine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-N-methylethanamine (CID 21325368) is 2-cyclohexa-2,4-dien-1-yl-N-methylethanamine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-N-methylethanamine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-N-methylethanamine is CNCCC1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-N-methylethanamine?
The InChIKey is YHFRQQJZBUJHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-10-8-7-9-5-3-2-4-6-9/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-N-methylethanamine?
2-cyclohexa-2,4-dien-1-yl-N-methylethanamine has a molecular weight of 137.23 g/mol, XLogP of 1.73, 3 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-N-methylethanamine is sourced from PubChem (CID 21325368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).