4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine

C9H13N3 — CID 137103485

IUPAC4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine
SMILESC=CC1=N/C(=N\C)NC(C)C=C1
InChIInChI=1S/C9H13N3/c1-4-8-6-5-7(2)11-9(10-3)12-8/h4-7H,1H2,2-3H3,(H,10,11)
InChIKeyGVQVEZSZPYMCPJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.15
Rot. Bonds1

About 4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine

4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine (PubChem CID 137103485) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine.

Molecular Properties

Compound Name4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine
PubChem CID137103485
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine
SMILESC=CC1=N/C(=N\C)NC(C)C=C1
InChIInChI=1S/C9H13N3/c1-4-8-6-5-7(2)11-9(10-3)12-8/h4-7H,1H2,2-3H3,(H,10,11)
InChIKeyGVQVEZSZPYMCPJ-UHFFFAOYSA-N
XLogP1.15
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine
CID 123512418
N-propan-2-yl-2,3-dihydropyridin-6-amine
CID 169902226
1-But-3-en-2-ylidene-3-ethyl-2-methylguanidine
CID 173689495
2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine
CID 115679575
(1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine
CID 129153192
(5Z)-N-[[(Z)-[(Z)-pent-3-en-2-ylidene]amino]methyl]hepta-1,5-dien-3-amine
CID 144334029

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine?
The IUPAC name of 4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine (CID 137103485) is 4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine.
What is the SMILES notation for 4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine?
The canonical SMILES for 4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine is C=CC1=N/C(=N\C)NC(C)C=C1.
What is the InChIKey of 4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine?
The InChIKey is GVQVEZSZPYMCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-8-6-5-7(2)11-9(10-3)12-8/h4-7H,1H2,2-3H3,(H,10,11).
What are the key properties of 4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine?
4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine has a molecular weight of 163.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine is sourced from PubChem (CID 137103485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).