3,7,8,10-tetramethyldodec-9-en-4-imine

C16H31N — CID 91500026

IUPAC3,7,8,10-tetramethyldodec-9-en-4-imine
SMILES[H]/N=C(/CCC(C)C(C)C=C(C)CC)C(C)CC
InChIInChI=1S/C16H31N/c1-7-12(3)11-15(6)14(5)9-10-16(17)13(4)8-2/h11,13-15,17H,7-10H2,1-6H3/b12-11?,17-16-
InChIKeyTWLNKCWRMMPJRQ-FOEWPSBCSA-N
MW237.43 g/mol
LogP5.46
Rot. Bonds8

About 3,7,8,10-tetramethyldodec-9-en-4-imine

3,7,8,10-tetramethyldodec-9-en-4-imine (PubChem CID 91500026) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 3,7,8,10-tetramethyldodec-9-en-4-imine.

Molecular Properties

Compound Name3,7,8,10-tetramethyldodec-9-en-4-imine
PubChem CID91500026
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name3,7,8,10-tetramethyldodec-9-en-4-imine
SMILES[H]/N=C(/CCC(C)C(C)C=C(C)CC)C(C)CC
InChIInChI=1S/C16H31N/c1-7-12(3)11-15(6)14(5)9-10-16(17)13(4)8-2/h11,13-15,17H,7-10H2,1-6H3/b12-11?,17-16-
InChIKeyTWLNKCWRMMPJRQ-FOEWPSBCSA-N
XLogP5.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.46
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

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
(E)-12,12-difluoro-2,7-dimethyl-9-propa-1,2-dienyl-9-propan-2-yltridec-6-en-4-imine
CID 123491631
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
3-[(3S)-4-(3-fluoroprop-1-en-2-yl)-3-methyl-5-(3-methylidenecyclopenten-1-yl)cyclopenta-1,4-dien-1-yl]butan-2-imine
CID 166989027
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
3-[(E)-but-2-en-2-yl]-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587061
(3S)-3-(4-octylcyclohexa-2,4-dien-1-yl)cyclopentan-1-imine
CID 68219189
5-Hexylbicyclo[2.2.1]hept-5-en-2-imine
CID 68426061

Frequently Asked Questions

What is the IUPAC name of 3,7,8,10-tetramethyldodec-9-en-4-imine?
The IUPAC name of 3,7,8,10-tetramethyldodec-9-en-4-imine (CID 91500026) is 3,7,8,10-tetramethyldodec-9-en-4-imine.
What is the SMILES notation for 3,7,8,10-tetramethyldodec-9-en-4-imine?
The canonical SMILES for 3,7,8,10-tetramethyldodec-9-en-4-imine is [H]/N=C(/CCC(C)C(C)C=C(C)CC)C(C)CC.
What is the InChIKey of 3,7,8,10-tetramethyldodec-9-en-4-imine?
The InChIKey is TWLNKCWRMMPJRQ-FOEWPSBCSA-N. The full InChI is InChI=1S/C16H31N/c1-7-12(3)11-15(6)14(5)9-10-16(17)13(4)8-2/h11,13-15,17H,7-10H2,1-6H3/b12-11?,17-16-.
What are the key properties of 3,7,8,10-tetramethyldodec-9-en-4-imine?
3,7,8,10-tetramethyldodec-9-en-4-imine has a molecular weight of 237.43 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8,10-tetramethyldodec-9-en-4-imine is sourced from PubChem (CID 91500026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).