(2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine

C17H31N — CID 91147991

IUPAC(2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine
SMILESCC=C(/N=C/C(=C\C)C(C)CCCC)C(C)(C)C
InChIInChI=1S/C17H31N/c1-8-11-12-14(4)15(9-2)13-18-16(10-3)17(5,6)7/h9-10,13-14H,8,11-12H2,1-7H3/b15-9+,16-10?,18-13+
InChIKeyNTHRICZEBIXTKZ-VECARXKISA-N
MW249.44 g/mol
LogP5.78
Rot. Bonds6

About (2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine

(2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine (PubChem CID 91147991) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine.

Molecular Properties

Compound Name(2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine
PubChem CID91147991
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine
SMILESCC=C(/N=C/C(=C\C)C(C)CCCC)C(C)(C)C
InChIInChI=1S/C17H31N/c1-8-11-12-14(4)15(9-2)13-18-16(10-3)17(5,6)7/h9-10,13-14H,8,11-12H2,1-7H3/b15-9+,16-10?,18-13+
InChIKeyNTHRICZEBIXTKZ-VECARXKISA-N
XLogP5.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.78
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 (2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine?
The IUPAC name of (2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine (CID 91147991) is (2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine.
What is the SMILES notation for (2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine?
The canonical SMILES for (2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine is CC=C(/N=C/C(=C\C)C(C)CCCC)C(C)(C)C.
What is the InChIKey of (2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine?
The InChIKey is NTHRICZEBIXTKZ-VECARXKISA-N. The full InChI is InChI=1S/C17H31N/c1-8-11-12-14(4)15(9-2)13-18-16(10-3)17(5,6)7/h9-10,13-14H,8,11-12H2,1-7H3/b15-9+,16-10?,18-13+.
What are the key properties of (2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine?
(2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine has a molecular weight of 249.44 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine is sourced from PubChem (CID 91147991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).