(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane

C18H31N — CID 142547914

IUPAC(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane
SMILESC=C(C)/C=C\C(/C=C(C)\C=N\CCC)=C(C)C.CC
InChIInChI=1S/C16H25N.C2H6/c1-7-10-17-12-15(6)11-16(14(4)5)9-8-13(2)3;1-2/h8-9,11-12H,2,7,10H2,1,3-6H3;1-2H3/b9-8-,15-11+,17-12+;
InChIKeyXGSSGTCHYVLJQC-GRXOAQRRSA-N
MW261.45 g/mol
LogP5.91
Rot. Bonds6

About (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane

(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane (PubChem CID 142547914) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane.

Molecular Properties

Compound Name(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane
PubChem CID142547914
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane
SMILESC=C(C)/C=C\C(/C=C(C)\C=N\CCC)=C(C)C.CC
InChIInChI=1S/C16H25N.C2H6/c1-7-10-17-12-15(6)11-16(14(4)5)9-8-13(2)3;1-2/h8-9,11-12H,2,7,10H2,1,3-6H3;1-2H3/b9-8-,15-11+,17-12+;
InChIKeyXGSSGTCHYVLJQC-GRXOAQRRSA-N
XLogP5.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.91
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 (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane with MolForge

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Launch Full Analysis

Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
(2E,4Z)-N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-imine
CID 144102746
(2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 146667427
(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine
CID 155306408
(5Z,7E,9E)-9-(1-fluoroethyl)-4-methyl-6-(methyliminomethyl)dodeca-3,5,7,9-tetraenenitrile
CID 155442333
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
CID 163583953
(E,2Z)-2-ethylidene-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-3-methylhept-3-en-1-imine
CID 173807900
N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 174262416
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
2-methyl-2-pentenal N-allylimine
CID 129747538

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane?
The IUPAC name of (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane (CID 142547914) is (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane.
What is the SMILES notation for (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane?
The canonical SMILES for (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane is C=C(C)/C=C\C(/C=C(C)\C=N\CCC)=C(C)C.CC.
What is the InChIKey of (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane?
The InChIKey is XGSSGTCHYVLJQC-GRXOAQRRSA-N. The full InChI is InChI=1S/C16H25N.C2H6/c1-7-10-17-12-15(6)11-16(14(4)5)9-8-13(2)3;1-2/h8-9,11-12H,2,7,10H2,1,3-6H3;1-2H3/b9-8-,15-11+,17-12+;.
What are the key properties of (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane?
(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane has a molecular weight of 261.45 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane is sourced from PubChem (CID 142547914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).