3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine

C19H35N — CID 123910730

IUPAC3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine
SMILES[H]/N=C(\C)C(C)CC(=CCC(C)CCC=C)CC(C)CC
InChIInChI=1S/C19H35N/c1-7-9-10-16(4)11-12-19(13-15(3)8-2)14-17(5)18(6)20/h7,12,15-17,20H,1,8-11,13-14H2,2-6H3/b19-12?,20-18+
InChIKeyNLEMWYZCXYAORB-NQNJEXPGSA-N
MW277.50 g/mol
LogP6.41
Rot. Bonds11

About 3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine

3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine (PubChem CID 123910730) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine.

Molecular Properties

Compound Name3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine
PubChem CID123910730
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine
SMILES[H]/N=C(\C)C(C)CC(=CCC(C)CCC=C)CC(C)CC
InChIInChI=1S/C19H35N/c1-7-9-10-16(4)11-12-19(13-15(3)8-2)14-17(5)18(6)20/h7,12,15-17,20H,1,8-11,13-14H2,2-6H3/b19-12?,20-18+
InChIKeyNLEMWYZCXYAORB-NQNJEXPGSA-N
XLogP6.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 53649182
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CID 91340707
(E)-12,12-difluoro-2,7-dimethyl-9-propa-1,2-dienyl-9-propan-2-yltridec-6-en-4-imine
CID 123491631
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
1-Cyclohexyl-imino-2-butene
CID 129765474
19,21-Dimethyl-19,21-bis(2-methylpropyl)nonatriaconta-9,30-dien-20-imine
CID 54130774
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
(3S)-3-(4-octylcyclohexa-2,4-dien-1-yl)cyclopentan-1-imine
CID 68219189
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine?
The IUPAC name of 3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine (CID 123910730) is 3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine.
What is the SMILES notation for 3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine?
The canonical SMILES for 3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine is [H]/N=C(\C)C(C)CC(=CCC(C)CCC=C)CC(C)CC.
What is the InChIKey of 3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine?
The InChIKey is NLEMWYZCXYAORB-NQNJEXPGSA-N. The full InChI is InChI=1S/C19H35N/c1-7-9-10-16(4)11-12-19(13-15(3)8-2)14-17(5)18(6)20/h7,12,15-17,20H,1,8-11,13-14H2,2-6H3/b19-12?,20-18+.
What are the key properties of 3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine?
3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine has a molecular weight of 277.50 g/mol, XLogP of 6.41, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-5-(2-methylbutyl)dodeca-5,11-dien-2-imine is sourced from PubChem (CID 123910730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).