5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane

C13H22N2 — CID 142254167

IUPAC5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane
SMILESC=CC1(C)C=C(C)N=C(C)C=N1.CCC
InChIInChI=1S/C10H14N2.C3H8/c1-5-10(4)6-8(2)12-9(3)7-11-10;1-3-2/h5-7H,1H2,2-4H3;3H2,1-2H3
InChIKeyXSDADNIWRHPHJF-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.80
Rot. Bonds1

About 5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane

5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane (PubChem CID 142254167) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane.

Molecular Properties

Compound Name5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane
PubChem CID142254167
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane
SMILESC=CC1(C)C=C(C)N=C(C)C=N1.CCC
InChIInChI=1S/C10H14N2.C3H8/c1-5-10(4)6-8(2)12-9(3)7-11-10;1-3-2/h5-7H,1H2,2-4H3;3H2,1-2H3
InChIKeyXSDADNIWRHPHJF-UHFFFAOYSA-N
XLogP3.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,5,7,7-Pentamethyl-1,4-diazocine
CID 90732409
2,3,5,5,7-Pentamethyl-1,4-diazepine
CID 90891375
N-[(3Z,5Z)-2-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-yl]propan-1-imine
CID 90973145
N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine
CID 91536988
5,5,7-Trimethyl-1,4-diazepine
CID 101208544
(E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine
CID 123210191
5-But-1-enyl-5-methyl-1,4-diazepine
CID 123256300
(E)-3-(3H-azepin-7-yl)-N-methylprop-2-en-1-imine
CID 123362647
N-[(4Z)-3-methylideneocta-1,4,6-trien-2-yl]propan-1-imine
CID 123408260
2,2,5,5-Tetramethyl-1,4-diazocine
CID 123609764
2,4-Dimethylazepin-4-amine
CID 126635964
N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine
CID 129210105

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane?
The IUPAC name of 5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane (CID 142254167) is 5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane.
What is the SMILES notation for 5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane?
The canonical SMILES for 5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane is C=CC1(C)C=C(C)N=C(C)C=N1.CCC.
What is the InChIKey of 5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane?
The InChIKey is XSDADNIWRHPHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C3H8/c1-5-10(4)6-8(2)12-9(3)7-11-10;1-3-2/h5-7H,1H2,2-4H3;3H2,1-2H3.
What are the key properties of 5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane?
5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane has a molecular weight of 206.33 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,5,7-trimethyl-1,4-diazepine;propane is sourced from PubChem (CID 142254167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).