(5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine

C20H37N — CID 88928035

IUPAC(5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine
SMILESCCCC(/C=C(/C)CCC=C(C)C)=N\C(C)(C)C(C)(C)C
InChIInChI=1S/C20H37N/c1-10-12-18(21-20(8,9)19(5,6)7)15-17(4)14-11-13-16(2)3/h13,15H,10-12,14H2,1-9H3/b17-15-,21-18+
InChIKeyQITMQFBYJFZMOW-GMTUMFJYSA-N
MW291.52 g/mol
LogP6.74
Rot. Bonds7

About (5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine

(5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine (PubChem CID 88928035) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is (5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine.

Molecular Properties

Compound Name(5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine
PubChem CID88928035
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name(5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine
SMILESCCCC(/C=C(/C)CCC=C(C)C)=N\C(C)(C)C(C)(C)C
InChIInChI=1S/C20H37N/c1-10-12-18(21-20(8,9)19(5,6)7)15-17(4)14-11-13-16(2)3/h13,15H,10-12,14H2,1-9H3/b17-15-,21-18+
InChIKeyQITMQFBYJFZMOW-GMTUMFJYSA-N
XLogP6.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine with MolForge

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Related Compounds

(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
(3Z)-4,8-dimethylnona-3,7-diene-2,2-diol
CID 87392782
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
7,11-dimethyldodeca-3,6,10-trien-5-one
CID 54142162
2,6-dimethyl-10-methylidenetrideca-2,6-diene
CID 141408483
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(2Z)-3,7-dimethylocta-2,6-dien-1-amine
CID 5362850
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137

Frequently Asked Questions

What is the IUPAC name of (5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine?
The IUPAC name of (5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine (CID 88928035) is (5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine.
What is the SMILES notation for (5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine?
The canonical SMILES for (5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine is CCCC(/C=C(/C)CCC=C(C)C)=N\C(C)(C)C(C)(C)C.
What is the InChIKey of (5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine?
The InChIKey is QITMQFBYJFZMOW-GMTUMFJYSA-N. The full InChI is InChI=1S/C20H37N/c1-10-12-18(21-20(8,9)19(5,6)7)15-17(4)14-11-13-16(2)3/h13,15H,10-12,14H2,1-9H3/b17-15-,21-18+.
What are the key properties of (5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine?
(5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine has a molecular weight of 291.52 g/mol, XLogP of 6.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine is sourced from PubChem (CID 88928035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).