N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine

C9H13N — CID 163890974

IUPACN-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine
SMILESCCN/C=C1\C=CC=CC1
InChIInChI=1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-6,8,10H,2,7H2,1H3/b9-8+
InChIKeyQBMZNOHMXFBFKO-CMDGGOBGSA-N
MW135.21 g/mol
LogP2.00
Rot. Bonds2

About N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine

N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine (PubChem CID 163890974) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine.

Molecular Properties

Compound NameN-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine
PubChem CID163890974
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine
SMILESCCN/C=C1\C=CC=CC1
InChIInChI=1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-6,8,10H,2,7H2,1H3/b9-8+
InChIKeyQBMZNOHMXFBFKO-CMDGGOBGSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(ethylaminomethylidene)cyclohexa-1,3-diene-1-carbaldehyde
CID 173232146
(Z,4E)-4-cyclohexa-2,4-dien-1-ylidene-N-methylbut-2-en-2-amine
CID 143168255
N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine
CID 135680314
cyclohexa-2,4-dien-1-ylidenemethylbenzene
CID 54483415
ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene
CID 143292269
2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol
CID 141109666
N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine oxide
CID 59876417
4-(butan-2-ylideneamino)-3-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]-5-methoxyhex-5-en-1-ol
CID 166849868
1-ethyl-2-methylcyclohepta-1,3,5-triene
CID 143683160
calcium bis(2-propylcyclohepta-1,3,5-trien-1-olate)
CID 140751950
(5E)-5-butan-2-ylidenecyclohexa-1,3-diene
CID 10978663
N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine
CID 142875667

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine?
The IUPAC name of N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine (CID 163890974) is N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine.
What is the SMILES notation for N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine?
The canonical SMILES for N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine is CCN/C=C1\C=CC=CC1.
What is the InChIKey of N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine?
The InChIKey is QBMZNOHMXFBFKO-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-6,8,10H,2,7H2,1H3/b9-8+.
What are the key properties of N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine?
N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine has a molecular weight of 135.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine is sourced from PubChem (CID 163890974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).