6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine

C9H14N2 — CID 144950458

IUPAC6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C1=CC(C)CC=C1NC
InChIInChI=1S/C9H14N2/c1-7-3-4-9(11-2)8(5-7)6-10/h4-7,10-11H,3H2,1-2H3/b10-6+
InChIKeyQWUCUMKECNGXSW-UXBLZVDNSA-N
MW150.22 g/mol
LogP1.71
Rot. Bonds2

About 6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine

6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 144950458) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID144950458
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C1=CC(C)CC=C1NC
InChIInChI=1S/C9H14N2/c1-7-3-4-9(11-2)8(5-7)6-10/h4-7,10-11H,3H2,1-2H3/b10-6+
InChIKeyQWUCUMKECNGXSW-UXBLZVDNSA-N
XLogP1.71
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine
CID 89263436
N-[2-(2,3-dihydropyridin-5-yl)ethyl]-4-methylcyclohexa-1,5-dien-1-amine
CID 89503221
(6-Methyl-1,2-dihydropyridin-4-yl)methanimine
CID 118486764
(Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine
CID 118549041
(5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine
CID 126583286
(6Z)-5-methylidene-6-propylidene-1,2-dihydropyrimidine
CID 130389549
(2E,4E,6Z)-3-methanimidoyl-N-methylocta-2,4,6-trien-4-amine
CID 132064933
(3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine
CID 134473203
(3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine
CID 134473261
(2E)-2-[(3Z)-3-(2-methylpropylidene)-1H-pyrrol-2-ylidene]ethanimine
CID 136411003
(Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine
CID 139358447
(4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine
CID 139438549

Frequently Asked Questions

What is the IUPAC name of 6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine (CID 144950458) is 6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine is [H]/N=C/C1=CC(C)CC=C1NC.
What is the InChIKey of 6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is QWUCUMKECNGXSW-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-3-4-9(11-2)8(5-7)6-10/h4-7,10-11H,3H2,1-2H3/b10-6+.
What are the key properties of 6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine?
6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 144950458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).