(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine

C11H17N — CID 126661402

IUPAC(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
SMILESC=C(C)C(=C/C)/N=C(C)/C=C\C
InChIInChI=1S/C11H17N/c1-6-8-10(5)12-11(7-2)9(3)4/h6-8H,3H2,1-2,4-5H3/b8-6-,11-7-,12-10+
InChIKeyHESZIHOXLBJZKV-BXYYCPBRSA-N
MW163.26 g/mol
LogP3.50
Rot. Bonds3

About (Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine

(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine (PubChem CID 126661402) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
PubChem CID126661402
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
SMILESC=C(C)C(=C/C)/N=C(C)/C=C\C
InChIInChI=1S/C11H17N/c1-6-8-10(5)12-11(7-2)9(3)4/h6-8H,3H2,1-2,4-5H3/b8-6-,11-7-,12-10+
InChIKeyHESZIHOXLBJZKV-BXYYCPBRSA-N
XLogP3.50
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 ≤ 53.50
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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Related Compounds

(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
CID 139518460
(E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
CID 126661770
1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone
CID 175616692
(4Z)-2-methyl-3-propan-2-ylidenehexa-1,4-diene
CID 142293143
(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438
tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate
CID 90989590
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine
CID 126661807
(E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial
CID 134386424
N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine
CID 91089297
N-propylpent-3-en-2-imine
CID 123895305
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine?
The IUPAC name of (Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine (CID 126661402) is (Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine.
What is the SMILES notation for (Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine?
The canonical SMILES for (Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine is C=C(C)C(=C/C)/N=C(C)/C=C\C.
What is the InChIKey of (Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine?
The InChIKey is HESZIHOXLBJZKV-BXYYCPBRSA-N. The full InChI is InChI=1S/C11H17N/c1-6-8-10(5)12-11(7-2)9(3)4/h6-8H,3H2,1-2,4-5H3/b8-6-,11-7-,12-10+.
What are the key properties of (Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine?
(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine has a molecular weight of 163.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine is sourced from PubChem (CID 126661402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).