(Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine

C11H19N — CID 123484845

IUPAC(Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine
SMILESC/C=C(C)\C=N\C(C)=C(C)CC
InChIInChI=1S/C11H19N/c1-6-9(3)8-12-11(5)10(4)7-2/h6,8H,7H2,1-5H3/b9-6-,11-10?,12-8+
InChIKeyFTOUSCUYLHOMNH-ABOIXVAOSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds3

About (Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine

(Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine (PubChem CID 123484845) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine
PubChem CID123484845
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine
SMILESC/C=C(C)\C=N\C(C)=C(C)CC
InChIInChI=1S/C11H19N/c1-6-9(3)8-12-11(5)10(4)7-2/h6,8H,7H2,1-5H3/b9-6-,11-10?,12-8+
InChIKeyFTOUSCUYLHOMNH-ABOIXVAOSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
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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Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(Z)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine
CID 131982774
N-[(Z)-pent-2-en-3-yl]-2-(trifluoromethyl)prop-2-en-1-imine
CID 142010061
(E)-N-(3-methylpent-2-en-2-yl)-2-(trifluoromethyl)but-2-en-1-imine
CID 153358122
(Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine
CID 167149871
(E)-N-[(E)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 168972609
(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 171492718
(E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine
CID 171492888
(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
CID 171493102
(E)-N-[(Z)-but-2-en-2-yl]-2-(1,1-difluoroethyl)but-2-en-1-imine
CID 171493156

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine?
The IUPAC name of (Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine (CID 123484845) is (Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine is C/C=C(C)\C=N\C(C)=C(C)CC.
What is the InChIKey of (Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine?
The InChIKey is FTOUSCUYLHOMNH-ABOIXVAOSA-N. The full InChI is InChI=1S/C11H19N/c1-6-9(3)8-12-11(5)10(4)7-2/h6,8H,7H2,1-5H3/b9-6-,11-10?,12-8+.
What are the key properties of (Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine?
(Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine is sourced from PubChem (CID 123484845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).