6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine

C9H14N2 — CID 172601543

IUPAC6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine
SMILESC/N=C/C1=C(N)C(C)=CCC1
InChIInChI=1S/C9H14N2/c1-7-4-3-5-8(6-11-2)9(7)10/h4,6H,3,5,10H2,1-2H3/b11-6+
InChIKeyNSUWBNOWCSTEAZ-IZZDOVSWSA-N
MW150.22 g/mol
LogP1.64
Rot. Bonds1

About 6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine

6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine (PubChem CID 172601543) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine
PubChem CID172601543
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine
SMILESC/N=C/C1=C(N)C(C)=CCC1
InChIInChI=1S/C9H14N2/c1-7-4-3-5-8(6-11-2)9(7)10/h4,6H,3,5,10H2,1-2H3/b11-6+
InChIKeyNSUWBNOWCSTEAZ-IZZDOVSWSA-N
XLogP1.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
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 6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine (CID 172601543) is 6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine is C/N=C/C1=C(N)C(C)=CCC1.
What is the InChIKey of 6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is NSUWBNOWCSTEAZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-3-5-8(6-11-2)9(7)10/h4,6H,3,5,10H2,1-2H3/b11-6+.
What are the key properties of 6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine?
6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 172601543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).