(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine

C20H37N — CID 142374782

IUPAC(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine
SMILESC=C(C)C(/C(CC)=N/C)=C(/C)CC(CC)(CC)CCCC
InChIInChI=1S/C20H37N/c1-9-13-14-20(11-3,12-4)15-17(7)19(16(5)6)18(10-2)21-8/h5,9-15H2,1-4,6-8H3/b19-17+,21-18+
InChIKeySXYFMJWVOVPNQS-HGUPXHDUSA-N
MW291.52 g/mol
LogP6.75
Rot. Bonds10

About (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine

(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine (PubChem CID 142374782) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine.

Molecular Properties

Compound Name(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine
PubChem CID142374782
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine
SMILESC=C(C)C(/C(CC)=N/C)=C(/C)CC(CC)(CC)CCCC
InChIInChI=1S/C20H37N/c1-9-13-14-20(11-3,12-4)15-17(7)19(16(5)6)18(10-2)21-8/h5,9-15H2,1-4,6-8H3/b19-17+,21-18+
InChIKeySXYFMJWVOVPNQS-HGUPXHDUSA-N
XLogP6.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.75
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

N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine
CID 20681059
N,3,5,5-tetramethylcyclohex-2-en-1-imine
CID 70518167
3-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1-N,2-N-dimethyl-6-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 87085215
1-N,2-N-dimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88553588
1-N,2-N,4,5-tetramethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88556051
3-[(E,4E)-4-(3,3-dimethylpentan-2-ylidene)dec-2-en-2-yl]-1-N,2-N-dimethyl-6-[(E,4E)-4-(3-methylbutan-2-ylidene)dec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88556143
3-[(E,4E)-4-(3,3-dimethylbutan-2-ylidene)dec-2-en-2-yl]-6-[(E,4E)-4-(3,3-dimethylpentan-2-ylidene)dec-2-en-2-yl]-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 88556771
3-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1-N,2-N-dimethyl-6-[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88673397
1-N,2-N,4,5-tetramethyl-3-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]-6-[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 89001106
1-N,2-N-dimethyl-3-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]-6-[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 89001138
3,6-bis[(E,4E)-4-(3,3-dimethylpentan-2-ylidene)dec-2-en-2-yl]-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 89001590

Frequently Asked Questions

What is the IUPAC name of (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine?
The IUPAC name of (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine (CID 142374782) is (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine.
What is the SMILES notation for (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine?
The canonical SMILES for (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine is C=C(C)C(/C(CC)=N/C)=C(/C)CC(CC)(CC)CCCC.
What is the InChIKey of (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine?
The InChIKey is SXYFMJWVOVPNQS-HGUPXHDUSA-N. The full InChI is InChI=1S/C20H37N/c1-9-13-14-20(11-3,12-4)15-17(7)19(16(5)6)18(10-2)21-8/h5,9-15H2,1-4,6-8H3/b19-17+,21-18+.
What are the key properties of (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine?
(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine has a molecular weight of 291.52 g/mol, XLogP of 6.75, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine is sourced from PubChem (CID 142374782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).