3-ethenyl-3,8-dimethylnonan-2-imine

C13H25N — CID 137398067

IUPAC3-ethenyl-3,8-dimethylnonan-2-imine
SMILES[H]/N=C(\C)C(C)(C=C)CCCCC(C)C
InChIInChI=1S/C13H25N/c1-6-13(5,12(4)14)10-8-7-9-11(2)3/h6,11,14H,1,7-10H2,2-5H3/b14-12+
InChIKeyPHYPYKMWDOWHPR-WYMLVPIESA-N
MW195.35 g/mol
LogP4.43
Rot. Bonds7

About 3-ethenyl-3,8-dimethylnonan-2-imine

3-ethenyl-3,8-dimethylnonan-2-imine (PubChem CID 137398067) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-ethenyl-3,8-dimethylnonan-2-imine.

Molecular Properties

Compound Name3-ethenyl-3,8-dimethylnonan-2-imine
PubChem CID137398067
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-ethenyl-3,8-dimethylnonan-2-imine
SMILES[H]/N=C(\C)C(C)(C=C)CCCCC(C)C
InChIInChI=1S/C13H25N/c1-6-13(5,12(4)14)10-8-7-9-11(2)3/h6,11,14H,1,7-10H2,2-5H3/b14-12+
InChIKeyPHYPYKMWDOWHPR-WYMLVPIESA-N
XLogP4.43
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine
CID 139423709
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 87279106
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429
4-(2,2,3,4-Tetramethylpentyl)cyclohex-2-en-1-imine
CID 91445250
(3R)-3,5,5-trimethyl-1-(2-methylcycloprop-2-en-1-yl)hexan-2-imine
CID 121480625
1-(1-Cyclopropylcycloprop-2-en-1-yl)butan-2-imine
CID 121480628
3,6-Diethyl-3,6-dimethyl-5-methylideneoctan-4-imine
CID 123178237
6-Ethyl-4,7-dimethyloct-7-en-2-imine
CID 123222470
4-Ethyl-10-methylundec-1-en-3-imine
CID 123243555
4,6,7-Trimethyldec-8-en-5-imine
CID 123296608

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3,8-dimethylnonan-2-imine?
The IUPAC name of 3-ethenyl-3,8-dimethylnonan-2-imine (CID 137398067) is 3-ethenyl-3,8-dimethylnonan-2-imine.
What is the SMILES notation for 3-ethenyl-3,8-dimethylnonan-2-imine?
The canonical SMILES for 3-ethenyl-3,8-dimethylnonan-2-imine is [H]/N=C(\C)C(C)(C=C)CCCCC(C)C.
What is the InChIKey of 3-ethenyl-3,8-dimethylnonan-2-imine?
The InChIKey is PHYPYKMWDOWHPR-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25N/c1-6-13(5,12(4)14)10-8-7-9-11(2)3/h6,11,14H,1,7-10H2,2-5H3/b14-12+.
What are the key properties of 3-ethenyl-3,8-dimethylnonan-2-imine?
3-ethenyl-3,8-dimethylnonan-2-imine has a molecular weight of 195.35 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3,8-dimethylnonan-2-imine is sourced from PubChem (CID 137398067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).