1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine

C11H17N — CID 126690761

IUPAC1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine
SMILESC=C/C=C(C)\N=C(/C)C1CC1C
InChIInChI=1S/C11H17N/c1-5-6-9(3)12-10(4)11-7-8(11)2/h5-6,8,11H,1,7H2,2-4H3/b9-6-,12-10+
InChIKeySSMYOHGPEUNNSU-QTJHGLNVSA-N
MW163.26 g/mol
LogP3.19
Rot. Bonds3

About 1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine

1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine (PubChem CID 126690761) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine
PubChem CID126690761
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine
SMILESC=C/C=C(C)\N=C(/C)C1CC1C
InChIInChI=1S/C11H17N/c1-5-6-9(3)12-10(4)11-7-8(11)2/h5-6,8,11H,1,7H2,2-4H3/b9-6-,12-10+
InChIKeySSMYOHGPEUNNSU-QTJHGLNVSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine?
The IUPAC name of 1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine (CID 126690761) is 1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for 1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine?
The canonical SMILES for 1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine is C=C/C=C(C)\N=C(/C)C1CC1C.
What is the InChIKey of 1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine?
The InChIKey is SSMYOHGPEUNNSU-QTJHGLNVSA-N. The full InChI is InChI=1S/C11H17N/c1-5-6-9(3)12-10(4)11-7-8(11)2/h5-6,8,11H,1,7H2,2-4H3/b9-6-,12-10+.
What are the key properties of 1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine?
1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine has a molecular weight of 163.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 126690761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).