(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine

C12H21N — CID 142120231

IUPAC(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine
SMILESC=C(CC)/N=C(C)/C=C\C(C)CC
InChIInChI=1S/C12H21N/c1-6-10(3)8-9-12(5)13-11(4)7-2/h8-10H,4,6-7H2,1-3,5H3/b9-8-,13-12+
InChIKeyZECADBRBLYNWFC-YILALFFRSA-N
MW179.31 g/mol
LogP3.97
Rot. Bonds5

About (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine

(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine (PubChem CID 142120231) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine
PubChem CID142120231
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine
SMILESC=C(CC)/N=C(C)/C=C\C(C)CC
InChIInChI=1S/C12H21N/c1-6-10(3)8-9-12(5)13-11(4)7-2/h8-10H,4,6-7H2,1-3,5H3/b9-8-,13-12+
InChIKeyZECADBRBLYNWFC-YILALFFRSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.97
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 (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine?
The IUPAC name of (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine (CID 142120231) is (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine.
What is the SMILES notation for (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine?
The canonical SMILES for (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine is C=C(CC)/N=C(C)/C=C\C(C)CC.
What is the InChIKey of (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine?
The InChIKey is ZECADBRBLYNWFC-YILALFFRSA-N. The full InChI is InChI=1S/C12H21N/c1-6-10(3)8-9-12(5)13-11(4)7-2/h8-10H,4,6-7H2,1-3,5H3/b9-8-,13-12+.
What are the key properties of (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine?
(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine has a molecular weight of 179.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine is sourced from PubChem (CID 142120231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).