1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine

C12H19N — CID 170721218

IUPAC1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine
SMILESC=C/C(=N\C=C(/C)C(C)C)C1CC1
InChIInChI=1S/C12H19N/c1-5-12(11-6-7-11)13-8-10(4)9(2)3/h5,8-9,11H,1,6-7H2,2-4H3/b10-8+,13-12+
InChIKeyOQKSDMKLQIWXLT-QZWQQMBISA-N
MW177.29 g/mol
LogP3.58
Rot. Bonds4

About 1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine

1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine (PubChem CID 170721218) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine
PubChem CID170721218
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine
SMILESC=C/C(=N\C=C(/C)C(C)C)C1CC1
InChIInChI=1S/C12H19N/c1-5-12(11-6-7-11)13-8-10(4)9(2)3/h5,8-9,11H,1,6-7H2,2-4H3/b10-8+,13-12+
InChIKeyOQKSDMKLQIWXLT-QZWQQMBISA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
CID 170144613
(2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine
CID 70308833
2-methyl-N-(2-methylprop-1-enyl)pent-1-en-3-imine
CID 89034155
1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine
CID 89066210
N-[(E)-4-methylpent-1-enyl]butan-2-imine
CID 90063487
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]propan-2-imine
CID 91546308
N-(2-propan-2-ylbuta-1,3-dienyl)propan-2-imine
CID 123161394
N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine
CID 123592884
4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine
CID 129194232
N-[(E)-2-cyclopropylprop-1-enyl]-3-methylbutan-2-imine
CID 130194899
N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine
CID 130320687
2-methyl-N-(2-methylprop-1-enyl)hex-5-en-3-imine
CID 131967873

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine?
The IUPAC name of 1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine (CID 170721218) is 1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for 1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine?
The canonical SMILES for 1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine is C=C/C(=N\C=C(/C)C(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine?
The InChIKey is OQKSDMKLQIWXLT-QZWQQMBISA-N. The full InChI is InChI=1S/C12H19N/c1-5-12(11-6-7-11)13-8-10(4)9(2)3/h5,8-9,11H,1,6-7H2,2-4H3/b10-8+,13-12+.
What are the key properties of 1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine?
1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 170721218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).