N-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine

C11H18N2 — CID 155204672

IUPACN-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine
SMILES[H]/N=C(/C1=CC=CCC1NC)C(C)C
InChIInChI=1S/C11H18N2/c1-8(2)11(12)9-6-4-5-7-10(9)13-3/h4-6,8,10,12-13H,7H2,1-3H3/b12-11+
InChIKeyUQCYGNHXZLCFOD-VAWYXSNFSA-N
MW178.28 g/mol
LogP2.14
Rot. Bonds3

About N-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine

N-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine (PubChem CID 155204672) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine
PubChem CID155204672
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine
SMILES[H]/N=C(/C1=CC=CCC1NC)C(C)C
InChIInChI=1S/C11H18N2/c1-8(2)11(12)9-6-4-5-7-10(9)13-3/h4-6,8,10,12-13H,7H2,1-3H3/b12-11+
InChIKeyUQCYGNHXZLCFOD-VAWYXSNFSA-N
XLogP2.14
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine (CID 155204672) is N-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine is [H]/N=C(/C1=CC=CCC1NC)C(C)C.
What is the InChIKey of N-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is UQCYGNHXZLCFOD-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)11(12)9-6-4-5-7-10(9)13-3/h4-6,8,10,12-13H,7H2,1-3H3/b12-11+.
What are the key properties of N-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine?
N-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropanimidoyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 155204672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).