2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine

C15H27N — CID 142560264

IUPAC2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine
SMILES[H]/N=C(\C(C)(C)CC=C(C)C)C(C)(C)C(=C)C
InChIInChI=1S/C15H27N/c1-11(2)9-10-14(5,6)13(16)15(7,8)12(3)4/h9,16H,3,10H2,1-2,4-8H3/b16-13+
InChIKeyDLZIIRANRAXJIS-DTQAZKPQSA-N
MW221.39 g/mol
LogP4.99
Rot. Bonds5

About 2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine

2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine (PubChem CID 142560264) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine.

Molecular Properties

Compound Name2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine
PubChem CID142560264
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine
SMILES[H]/N=C(\C(C)(C)CC=C(C)C)C(C)(C)C(=C)C
InChIInChI=1S/C15H27N/c1-11(2)9-10-14(5,6)13(16)15(7,8)12(3)4/h9,16H,3,10H2,1-2,4-8H3/b16-13+
InChIKeyDLZIIRANRAXJIS-DTQAZKPQSA-N
XLogP4.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.99
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'}

Analyze 2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6E,8Z)-7-fluoro-2,2,8-trimethylundeca-6,8-dien-4-imine
CID 169927594
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
2-(2-Methylpentan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 56977683
Azane;3,5,5-trimethylcyclohex-2-en-1-imine
CID 69864880
4-(2-Ethylbut-1-enyl)cyclohexan-1-imine
CID 89040033
(E)-5-ethyl-6-methylundec-6-en-4-imine
CID 89117109
(E)-2,6-dimethyloct-6-en-3-imine
CID 89688388
(Z)-4,5-dimethylhept-5-en-2-imine
CID 89961034
8-Methylnon-7-en-2-imine
CID 90700434
6-Methyldec-6-en-2-imine
CID 90707905
(Z)-6,9-dimethyl-4-methylidenedec-6-en-5-imine
CID 90805601
(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine
CID 90880737

Frequently Asked Questions

What is the IUPAC name of 2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine?
The IUPAC name of 2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine (CID 142560264) is 2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine.
What is the SMILES notation for 2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine?
The canonical SMILES for 2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine is [H]/N=C(\C(C)(C)CC=C(C)C)C(C)(C)C(=C)C.
What is the InChIKey of 2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine?
The InChIKey is DLZIIRANRAXJIS-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H27N/c1-11(2)9-10-14(5,6)13(16)15(7,8)12(3)4/h9,16H,3,10H2,1-2,4-8H3/b16-13+.
What are the key properties of 2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine?
2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine has a molecular weight of 221.39 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5,5,8-hexamethylnona-1,7-dien-4-imine is sourced from PubChem (CID 142560264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).