4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine

C9H14N2 — CID 123439029

IUPAC4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine
SMILES[H]/N=C1\C=CCC(N(C)C)C=C1
InChIInChI=1S/C9H14N2/c1-11(2)9-5-3-4-8(10)6-7-9/h3-4,6-7,9-10H,5H2,1-2H3/b10-8+
InChIKeyCCXOWEZKEHJSDD-CSKARUKUSA-N
MW150.22 g/mol
LogP1.45
Rot. Bonds1

About 4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine

4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine (PubChem CID 123439029) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine.

Molecular Properties

Compound Name4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine
PubChem CID123439029
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine
SMILES[H]/N=C1\C=CCC(N(C)C)C=C1
InChIInChI=1S/C9H14N2/c1-11(2)9-5-3-4-8(10)6-7-9/h3-4,6-7,9-10H,5H2,1-2H3/b10-8+
InChIKeyCCXOWEZKEHJSDD-CSKARUKUSA-N
XLogP1.45
TPSA27.09 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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-2-[(E)-prop-1-enyl]-2,6-dihydroazepin-5-imine
CID 123675010
(4-Iminocyclohexa-2,5-dien-1-yl)-dimethylazanium
CID 59831277
4-imino-N,N-dimethylcyclohexa-2,5-dien-1-amine
CID 59831278
1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine
CID 123316650
1-Methyl-2,6-dihydropyridin-3-imine
CID 123316768
4-imino-N,N-dimethylcyclohex-2-en-1-amine
CID 123329264
2-imino-N,N-dimethylpent-3-en-1-amine
CID 123865844
4-(4-Methylpiperazin-1-yl)cyclohepta-2,6-dien-1-imine
CID 123966950
(E)-N-ethyl-4-imino-N-methylpent-2-en-1-amine
CID 139516172

Frequently Asked Questions

What is the IUPAC name of 4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine?
The IUPAC name of 4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine (CID 123439029) is 4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine.
What is the SMILES notation for 4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine?
The canonical SMILES for 4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine is [H]/N=C1\C=CCC(N(C)C)C=C1.
What is the InChIKey of 4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine?
The InChIKey is CCXOWEZKEHJSDD-CSKARUKUSA-N. The full InChI is InChI=1S/C9H14N2/c1-11(2)9-5-3-4-8(10)6-7-9/h3-4,6-7,9-10H,5H2,1-2H3/b10-8+.
What are the key properties of 4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine?
4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine is sourced from PubChem (CID 123439029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).