N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine

C10H14N2 — CID 144683308

IUPACN-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine
SMILESC=C/C=N/C1=CCCC=C1NC
InChIInChI=1S/C10H14N2/c1-3-8-12-10-7-5-4-6-9(10)11-2/h3,6-8,11H,1,4-5H2,2H3/b12-8+
InChIKeyJBJXVNNMMVYWPL-XYOKQWHBSA-N
MW162.24 g/mol
LogP2.02
Rot. Bonds3

About N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine

N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine (PubChem CID 144683308) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine
PubChem CID144683308
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine
SMILESC=C/C=N/C1=CCCC=C1NC
InChIInChI=1S/C10H14N2/c1-3-8-12-10-7-5-4-6-9(10)11-2/h3,6-8,11H,1,4-5H2,2H3/b12-8+
InChIKeyJBJXVNNMMVYWPL-XYOKQWHBSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Pyrido[3,2-c]azepine
CID 129706333
1,8a-Dihydro-1,5-naphthyridine
CID 19103933
2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 23545925
6-(ethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine
CID 68274131
(2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine
CID 88918558
(2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine
CID 88918559
(6Z)-N-methyl-5-methylidene-6-(3-methylidene-2-pyridinylidene)pyridin-3-amine
CID 123941426
N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine
CID 129126581
(3Z)-N-methyl-3-(2-methyl-2H-pyridin-3-ylidene)prop-1-en-2-amine
CID 129144728
8H-pyrido[2,3-c]azepine
CID 141369396
(2E,3Z)-2,3-di(ethylidene)pyridine;(1Z)-N-methylbuta-1,3-dien-1-amine
CID 141819366
(2Z)-2-(ethylideneamino)-N-methylpenta-2,4-dien-1-amine
CID 142123452

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine (CID 144683308) is N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine is C=C/C=N/C1=CCCC=C1NC.
What is the InChIKey of N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine?
The InChIKey is JBJXVNNMMVYWPL-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-8-12-10-7-5-4-6-9(10)11-2/h3,6-8,11H,1,4-5H2,2H3/b12-8+.
What are the key properties of N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine?
N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine has a molecular weight of 162.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 144683308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).