(E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine

C12H19N — CID 166976426

IUPAC(E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine
SMILESC=C(C)/N=C(/C=C(\C)CC)C1CC1
InChIInChI=1S/C12H19N/c1-5-10(4)8-12(11-6-7-11)13-9(2)3/h8,11H,2,5-7H2,1,3-4H3/b10-8+,13-12-
InChIKeyKVUZXAADOMLXHE-SMEYHRCOSA-N
MW177.29 g/mol
LogP3.73
Rot. Bonds4

About (E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine

(E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine (PubChem CID 166976426) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine
PubChem CID166976426
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine
SMILESC=C(C)/N=C(/C=C(\C)CC)C1CC1
InChIInChI=1S/C12H19N/c1-5-10(4)8-12(11-6-7-11)13-9(2)3/h8,11H,2,5-7H2,1,3-4H3/b10-8+,13-12-
InChIKeyKVUZXAADOMLXHE-SMEYHRCOSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine?
The IUPAC name of (E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine (CID 166976426) is (E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine.
What is the SMILES notation for (E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine?
The canonical SMILES for (E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine is C=C(C)/N=C(/C=C(\C)CC)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine?
The InChIKey is KVUZXAADOMLXHE-SMEYHRCOSA-N. The full InChI is InChI=1S/C12H19N/c1-5-10(4)8-12(11-6-7-11)13-9(2)3/h8,11H,2,5-7H2,1,3-4H3/b10-8+,13-12-.
What are the key properties of (E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine?
(E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylpent-2-en-1-imine is sourced from PubChem (CID 166976426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).