(1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine

C9H12N2 — CID 130380805

IUPAC(1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
SMILES[H]/N=C1\C=CC=C\C1=C\N(C)C
InChIInChI=1S/C9H12N2/c1-11(2)7-8-5-3-4-6-9(8)10/h3-7,10H,1-2H3/b8-7-,10-9+
InChIKeyOYHFAJZAZPPEHS-UQGDGPGGSA-N
MW148.21 g/mol
LogP1.58
Rot. Bonds1

About (1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine

(1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine (PubChem CID 130380805) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name(1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
PubChem CID130380805
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
SMILES[H]/N=C1\C=CC=C\C1=C\N(C)C
InChIInChI=1S/C9H12N2/c1-11(2)7-8-5-3-4-6-9(8)10/h3-7,10H,1-2H3/b8-7-,10-9+
InChIKeyOYHFAJZAZPPEHS-UQGDGPGGSA-N
XLogP1.58
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.58
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 (1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine?
The IUPAC name of (1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine (CID 130380805) is (1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine.
What is the SMILES notation for (1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine?
The canonical SMILES for (1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine is [H]/N=C1\C=CC=C\C1=C\N(C)C.
What is the InChIKey of (1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine?
The InChIKey is OYHFAJZAZPPEHS-UQGDGPGGSA-N. The full InChI is InChI=1S/C9H12N2/c1-11(2)7-8-5-3-4-6-9(8)10/h3-7,10H,1-2H3/b8-7-,10-9+.
What are the key properties of (1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine?
(1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine has a molecular weight of 148.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine is sourced from PubChem (CID 130380805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).