(4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine

C22H39N — CID 177235104

IUPAC(4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine
SMILESC/C=C(\C=N\C)C(C)C.C=C(/C=C\C=C/CCC)CC(C)CC
InChIInChI=1S/C14H24.C8H15N/c1-5-7-8-9-10-11-14(4)12-13(3)6-2;1-5-8(6-9-4)7(2)3/h8-11,13H,4-7,12H2,1-3H3;5-7H,1-4H3/b9-8-,11-10-;8-5+,9-6+
InChIKeySRYMORDWYYIXNQ-XOUSWJJBSA-N
MW317.56 g/mol
LogP7.18
Rot. Bonds9

About (4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine

(4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine (PubChem CID 177235104) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is (4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine
PubChem CID177235104
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC Name(4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine
SMILESC/C=C(\C=N\C)C(C)C.C=C(/C=C\C=C/CCC)CC(C)CC
InChIInChI=1S/C14H24.C8H15N/c1-5-7-8-9-10-11-14(4)12-13(3)6-2;1-5-8(6-9-4)7(2)3/h8-11,13H,4-7,12H2,1-3H3;5-7H,1-4H3/b9-8-,11-10-;8-5+,9-6+
InChIKeySRYMORDWYYIXNQ-XOUSWJJBSA-N
XLogP7.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 57.18
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 (4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-N-ethyl-2-(2-fluoropropan-2-yl)-3-(5-methylcyclohexa-2,4-dien-1-yl)but-2-en-1-imine
CID 156099727
(2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine
CID 101404446
5,10-Undecadien-3-amine, 2-methyl-N-(2-methyl-2-propenylidene)-
CID 5371390
(4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine
CID 87160355
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
CID 87981822
(Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine
CID 88562301
(Z)-N-methyl-2-(2-methylpropyl)pent-2-en-1-imine
CID 90701519
N,4-dimethyloct-6-en-1-imine
CID 91168305
N-methyl-2-(2-methylbutyl)hex-2-en-1-imine
CID 91384576
5-ethyl-N,2-dimethyltridec-2-en-1-imine
CID 91514795
4-ethenyl-N,2-dimethylhept-4-en-1-imine
CID 91556772
N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine
CID 123136666

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine?
The IUPAC name of (4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine (CID 177235104) is (4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine.
What is the SMILES notation for (4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine?
The canonical SMILES for (4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine is C/C=C(\C=N\C)C(C)C.C=C(/C=C\C=C/CCC)CC(C)CC.
What is the InChIKey of (4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine?
The InChIKey is SRYMORDWYYIXNQ-XOUSWJJBSA-N. The full InChI is InChI=1S/C14H24.C8H15N/c1-5-7-8-9-10-11-14(4)12-13(3)6-2;1-5-8(6-9-4)7(2)3/h8-11,13H,4-7,12H2,1-3H3;5-7H,1-4H3/b9-8-,11-10-;8-5+,9-6+.
What are the key properties of (4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine?
(4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine has a molecular weight of 317.56 g/mol, XLogP of 7.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-10-methyl-8-methylidenedodeca-4,6-diene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine is sourced from PubChem (CID 177235104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).