1-cyclopropyl-3-methylbut-3-en-2-imine

C8H13N — CID 123488484

IUPAC1-cyclopropyl-3-methylbut-3-en-2-imine
SMILES[H]/N=C(/CC1CC1)C(=C)C
InChIInChI=1S/C8H13N/c1-6(2)8(9)5-7-3-4-7/h7,9H,1,3-5H2,2H3/b9-8-
InChIKeyQENODARBTBVTHN-HJWRWDBZSA-N
MW123.20 g/mol
LogP2.38
Rot. Bonds3

About 1-cyclopropyl-3-methylbut-3-en-2-imine

1-cyclopropyl-3-methylbut-3-en-2-imine (PubChem CID 123488484) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-cyclopropyl-3-methylbut-3-en-2-imine.

Molecular Properties

Compound Name1-cyclopropyl-3-methylbut-3-en-2-imine
PubChem CID123488484
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-cyclopropyl-3-methylbut-3-en-2-imine
SMILES[H]/N=C(/CC1CC1)C(=C)C
InChIInChI=1S/C8H13N/c1-6(2)8(9)5-7-3-4-7/h7,9H,1,3-5H2,2H3/b9-8-
InChIKeyQENODARBTBVTHN-HJWRWDBZSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-methylbut-3-en-2-imine 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

2,4-Dimethylpent-1-en-3-imine
CID 91148130
2,5-Dimethylhept-1-en-3-imine
CID 91222633
3-Methyl-5-methylideneheptan-2-imine
CID 123288208
5-Methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine
CID 123641515
4-Ethyl-7-methyloct-7-en-2-imine
CID 123805037
1-(2-Hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine
CID 123948342
(9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine
CID 126592719
(8S)-2,8,9-trimethyldeca-1,9-dien-3-imine
CID 126592939
2-Methylhept-1-en-3-imine
CID 134334386
8-Methyl-5-methylidenenonan-2-imine
CID 134549421
3-Methylideneheptan-2-imine
CID 142400940
3,5-Dimethylhex-5-en-2-imine
CID 147395986

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methylbut-3-en-2-imine?
The IUPAC name of 1-cyclopropyl-3-methylbut-3-en-2-imine (CID 123488484) is 1-cyclopropyl-3-methylbut-3-en-2-imine.
What is the SMILES notation for 1-cyclopropyl-3-methylbut-3-en-2-imine?
The canonical SMILES for 1-cyclopropyl-3-methylbut-3-en-2-imine is [H]/N=C(/CC1CC1)C(=C)C.
What is the InChIKey of 1-cyclopropyl-3-methylbut-3-en-2-imine?
The InChIKey is QENODARBTBVTHN-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H13N/c1-6(2)8(9)5-7-3-4-7/h7,9H,1,3-5H2,2H3/b9-8-.
What are the key properties of 1-cyclopropyl-3-methylbut-3-en-2-imine?
1-cyclopropyl-3-methylbut-3-en-2-imine has a molecular weight of 123.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methylbut-3-en-2-imine is sourced from PubChem (CID 123488484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).