6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine

C14H18N2 — CID 143079676

IUPAC6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine
SMILES[H]/N=C1/C(C2C=CC(C)=CC2)=CC=C(C)C1N
InChIInChI=1S/C14H18N2/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16/h3-6,8,11,13,16H,7,15H2,1-2H3/b16-14-
InChIKeyHSEMUJDZDAYIEN-PEZBUJJGSA-N
MW214.31 g/mol
LogP2.74
Rot. Bonds1

About 6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine

6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 143079676) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine
PubChem CID143079676
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine
SMILES[H]/N=C1/C(C2C=CC(C)=CC2)=CC=C(C)C1N
InChIInChI=1S/C14H18N2/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16/h3-6,8,11,13,16H,7,15H2,1-2H3/b16-14-
InChIKeyHSEMUJDZDAYIEN-PEZBUJJGSA-N
XLogP2.74
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.74
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

4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide
CID 146521452
5-iodo-2-methylcyclohexa-1,3-diene
CID 70252237
N,N,4-trimethylcyclohexa-2,4-dien-1-amine
CID 89017646
tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
[(1R)-4,7-dimethylcyclohepta-2,4-dien-1-yl]hydrazine
CID 163777490
(1Z,3Z)-1,5,8-trimethylcycloocta-1,3,5-triene
CID 145266562
4-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 18387156
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
(5S)-5-ethoxy-2-methylcyclohexa-1,3-diene
CID 89420040
2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine
CID 70331289
5-(3,3-dimethylbutan-2-yl)-2-methylcyclohexa-1,3-diene
CID 157406812
1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine
CID 135293078

Frequently Asked Questions

What is the IUPAC name of 6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine (CID 143079676) is 6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine is [H]/N=C1/C(C2C=CC(C)=CC2)=CC=C(C)C1N.
What is the InChIKey of 6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is HSEMUJDZDAYIEN-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16/h3-6,8,11,13,16H,7,15H2,1-2H3/b16-14-.
What are the key properties of 6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine?
6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 143079676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).