(1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine

C9H12N2 — CID 129260100

IUPAC(1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine
SMILESC=NN(C)/C=C1/C=CC=CC1
InChIInChI=1S/C9H12N2/c1-10-11(2)8-9-6-4-3-5-7-9/h3-6,8H,1,7H2,2H3/b9-8-
InChIKeyOFYNZMMTCRCSCE-HJWRWDBZSA-N
MW148.21 g/mol
LogP1.93
Rot. Bonds2

About (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine

(1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine (PubChem CID 129260100) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine.

Molecular Properties

Compound Name(1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine
PubChem CID129260100
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine
SMILESC=NN(C)/C=C1/C=CC=CC1
InChIInChI=1S/C9H12N2/c1-10-11(2)8-9-6-4-3-5-7-9/h3-6,8H,1,7H2,2H3/b9-8-
InChIKeyOFYNZMMTCRCSCE-HJWRWDBZSA-N
XLogP1.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine?
The IUPAC name of (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine (CID 129260100) is (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine.
What is the SMILES notation for (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine?
The canonical SMILES for (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine is C=NN(C)/C=C1/C=CC=CC1.
What is the InChIKey of (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine?
The InChIKey is OFYNZMMTCRCSCE-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H12N2/c1-10-11(2)8-9-6-4-3-5-7-9/h3-6,8H,1,7H2,2H3/b9-8-.
What are the key properties of (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine?
(1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine has a molecular weight of 148.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-N-(methylideneamino)methanamine is sourced from PubChem (CID 129260100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).