(3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine

C16H27N — CID 167035904

IUPAC(3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine
SMILESCCC(/N=C(C)/C=C\C=C(/C)C(C)C)=C(C)C
InChIInChI=1S/C16H27N/c1-8-16(13(4)5)17-15(7)11-9-10-14(6)12(2)3/h9-12H,8H2,1-7H3/b11-9-,14-10+,17-15+
InChIKeyJCIDQIYKJBTEDY-QBNPRFTMSA-N
MW233.40 g/mol
LogP5.31
Rot. Bonds5

About (3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine

(3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine (PubChem CID 167035904) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine
PubChem CID167035904
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine
SMILESCCC(/N=C(C)/C=C\C=C(/C)C(C)C)=C(C)C
InChIInChI=1S/C16H27N/c1-8-16(13(4)5)17-15(7)11-9-10-14(6)12(2)3/h9-12H,8H2,1-7H3/b11-9-,14-10+,17-15+
InChIKeyJCIDQIYKJBTEDY-QBNPRFTMSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.31
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'}

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Related Compounds

(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine
CID 134448737
(3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine
CID 170081889
N-[(2E,4Z)-1-fluoro-3-methylhepta-2,4,6-trien-2-yl]-3-methylbutan-2-imine
CID 170144865
(E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine
CID 156880573
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]propan-2-imine
CID 88529325
(3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine
CID 88576597
(6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine
CID 89070251
(3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine
CID 89121716
3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine
CID 89258854
N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine
CID 90903761
N-(3,6,7-trimethylundeca-1,3,5,7,9-pentaen-2-yl)but-3-en-2-imine
CID 90908627
6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine
CID 90959943

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine?
The IUPAC name of (3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine (CID 167035904) is (3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine?
The canonical SMILES for (3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine is CCC(/N=C(C)/C=C\C=C(/C)C(C)C)=C(C)C.
What is the InChIKey of (3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine?
The InChIKey is JCIDQIYKJBTEDY-QBNPRFTMSA-N. The full InChI is InChI=1S/C16H27N/c1-8-16(13(4)5)17-15(7)11-9-10-14(6)12(2)3/h9-12H,8H2,1-7H3/b11-9-,14-10+,17-15+.
What are the key properties of (3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine?
(3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine has a molecular weight of 233.40 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine is sourced from PubChem (CID 167035904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).