N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine

C9H14N2 — CID 67679348

IUPACN,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine
SMILESC/N=C1\C=CC(NC)=CC1C
InChIInChI=1S/C9H14N2/c1-7-6-8(10-2)4-5-9(7)11-3/h4-7,10H,1-3H3/b11-9+
InChIKeyZOVAMYDGNLPLMJ-PKNBQFBNSA-N
MW150.22 g/mol
LogP1.37
Rot. Bonds1

About N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine

N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine (PubChem CID 67679348) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine
PubChem CID67679348
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine
SMILESC/N=C1\C=CC(NC)=CC1C
InChIInChI=1S/C9H14N2/c1-7-6-8(10-2)4-5-9(7)11-3/h4-7,10H,1-3H3/b11-9+
InChIKeyZOVAMYDGNLPLMJ-PKNBQFBNSA-N
XLogP1.37
TPSA24.39 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 ≤ 51.37
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 N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine?
The IUPAC name of N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine (CID 67679348) is N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine is C/N=C1\C=CC(NC)=CC1C.
What is the InChIKey of N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine?
The InChIKey is ZOVAMYDGNLPLMJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-6-8(10-2)4-5-9(7)11-3/h4-7,10H,1-3H3/b11-9+.
What are the key properties of N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine?
N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 67679348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).