(2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine

C17H31N — CID 170050973

IUPAC(2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine
SMILESC=C(/N=C/C(=C\C)CCCC(C)C)C(C)(C)CC
InChIInChI=1S/C17H31N/c1-8-16(12-10-11-14(3)4)13-18-15(5)17(6,7)9-2/h8,13-14H,5,9-12H2,1-4,6-7H3/b16-8-,18-13+
InChIKeyYTBOVHCOKZDORA-VWEIEBQISA-N
MW249.44 g/mol
LogP5.78
Rot. Bonds8

About (2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine

(2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine (PubChem CID 170050973) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine.

Molecular Properties

Compound Name(2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine
PubChem CID170050973
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine
SMILESC=C(/N=C/C(=C\C)CCCC(C)C)C(C)(C)CC
InChIInChI=1S/C17H31N/c1-8-16(12-10-11-14(3)4)13-18-15(5)17(6,7)9-2/h8,13-14H,5,9-12H2,1-4,6-7H3/b16-8-,18-13+
InChIKeyYTBOVHCOKZDORA-VWEIEBQISA-N
XLogP5.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine?
The IUPAC name of (2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine (CID 170050973) is (2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine.
What is the SMILES notation for (2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine?
The canonical SMILES for (2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine is C=C(/N=C/C(=C\C)CCCC(C)C)C(C)(C)CC.
What is the InChIKey of (2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine?
The InChIKey is YTBOVHCOKZDORA-VWEIEBQISA-N. The full InChI is InChI=1S/C17H31N/c1-8-16(12-10-11-14(3)4)13-18-15(5)17(6,7)9-2/h8,13-14H,5,9-12H2,1-4,6-7H3/b16-8-,18-13+.
What are the key properties of (2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine?
(2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine has a molecular weight of 249.44 g/mol, XLogP of 5.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylidene-6-methylheptan-1-imine is sourced from PubChem (CID 170050973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).