(E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine

C12H21N — CID 166938107

IUPAC(E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine
SMILESCC/N=C(C(/C)=C/C1CC1)\C(C)C
InChIInChI=1S/C12H21N/c1-5-13-12(9(2)3)10(4)8-11-6-7-11/h8-9,11H,5-7H2,1-4H3/b10-8+,13-12+
InChIKeyKMFPLYZIAVVIEZ-QZWQQMBISA-N
MW179.31 g/mol
LogP3.46
Rot. Bonds4

About (E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine

(E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine (PubChem CID 166938107) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine.

Molecular Properties

Compound Name(E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine
PubChem CID166938107
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine
SMILESCC/N=C(C(/C)=C/C1CC1)\C(C)C
InChIInChI=1S/C12H21N/c1-5-13-12(9(2)3)10(4)8-11-6-7-11/h8-9,11H,5-7H2,1-4H3/b10-8+,13-12+
InChIKeyKMFPLYZIAVVIEZ-QZWQQMBISA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.46
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-N-ethyl-2,4-dimethylpent-1-en-3-imine?
The IUPAC name of (E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine (CID 166938107) is (E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine.
What is the SMILES notation for (E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine?
The canonical SMILES for (E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine is CC/N=C(C(/C)=C/C1CC1)\C(C)C.
What is the InChIKey of (E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine?
The InChIKey is KMFPLYZIAVVIEZ-QZWQQMBISA-N. The full InChI is InChI=1S/C12H21N/c1-5-13-12(9(2)3)10(4)8-11-6-7-11/h8-9,11H,5-7H2,1-4H3/b10-8+,13-12+.
What are the key properties of (E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine?
(E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine has a molecular weight of 179.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-N-ethyl-2,4-dimethylpent-1-en-3-imine is sourced from PubChem (CID 166938107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).