(2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane

C17H31N — CID 166146875

IUPAC(2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane
SMILESC=C(/C=C\C(=N\C)\C(=C/C)C(C)C)C(C)C.CC
InChIInChI=1S/C15H25N.C2H6/c1-8-14(12(4)5)15(16-7)10-9-13(6)11(2)3;1-2/h8-12H,6H2,1-5,7H3;1-2H3/b10-9-,14-8-,16-15-;
InChIKeyZNWQMRHGZWUXBS-UDCHTFNUSA-N
MW249.44 g/mol
LogP5.45
Rot. Bonds5

About (2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane

(2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane (PubChem CID 166146875) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane.

Molecular Properties

Compound Name(2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane
PubChem CID166146875
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane
SMILESC=C(/C=C\C(=N\C)\C(=C/C)C(C)C)C(C)C.CC
InChIInChI=1S/C15H25N.C2H6/c1-8-14(12(4)5)15(16-7)10-9-13(6)11(2)3;1-2/h8-12H,6H2,1-5,7H3;1-2H3/b10-9-,14-8-,16-15-;
InChIKeyZNWQMRHGZWUXBS-UDCHTFNUSA-N
XLogP5.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.45
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'}

Analyze (2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane with MolForge

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Related Compounds

(1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine
CID 130179315
(2E,5Z)-8-methyl-4,7-dimethylidenenona-2,5-diene;hydroiodide
CID 143788216
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698
(Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne
CID 145388588
ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium
CID 177140629
N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
CID 130348009
(Z)-2,7-dimethyl-3,6-dimethylidenedec-4-ene;propane
CID 166116853
(3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine
CID 144536498
(3E,5Z)-2,4-difluoro-5-propan-2-ylhepta-1,3,5-triene
CID 89217781
O-[(Z)-4-methyl-3-methylidenepent-1-enyl]hydroxylamine
CID 147805987
(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene
CID 149203613
N-[(Z)-but-2-en-2-yl]-3-methyl-2-methylidenebutan-1-imine
CID 134226025

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane?
The IUPAC name of (2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane (CID 166146875) is (2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane.
What is the SMILES notation for (2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane?
The canonical SMILES for (2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane is C=C(/C=C\C(=N\C)\C(=C/C)C(C)C)C(C)C.CC.
What is the InChIKey of (2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane?
The InChIKey is ZNWQMRHGZWUXBS-UDCHTFNUSA-N. The full InChI is InChI=1S/C15H25N.C2H6/c1-8-14(12(4)5)15(16-7)10-9-13(6)11(2)3;1-2/h8-12H,6H2,1-5,7H3;1-2H3/b10-9-,14-8-,16-15-;.
What are the key properties of (2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane?
(2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane has a molecular weight of 249.44 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane is sourced from PubChem (CID 166146875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).