3-(2-methylprop-2-enyl)-4-propyloctan-2-imine

C15H29N — CID 90894242

IUPAC3-(2-methylprop-2-enyl)-4-propyloctan-2-imine
SMILES[H]/N=C(\C)C(CC(=C)C)C(CCC)CCCC
InChIInChI=1S/C15H29N/c1-6-8-10-14(9-7-2)15(13(5)16)11-12(3)4/h14-16H,3,6-11H2,1-2,4-5H3/b16-13+
InChIKeyZLRNKWZYVADAOV-DTQAZKPQSA-N
MW223.40 g/mol
LogP5.21
Rot. Bonds9

About 3-(2-methylprop-2-enyl)-4-propyloctan-2-imine

3-(2-methylprop-2-enyl)-4-propyloctan-2-imine (PubChem CID 90894242) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)-4-propyloctan-2-imine.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)-4-propyloctan-2-imine
PubChem CID90894242
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name3-(2-methylprop-2-enyl)-4-propyloctan-2-imine
SMILES[H]/N=C(\C)C(CC(=C)C)C(CCC)CCCC
InChIInChI=1S/C15H29N/c1-6-8-10-14(9-7-2)15(13(5)16)11-12(3)4/h14-16H,3,6-11H2,1-2,4-5H3/b16-13+
InChIKeyZLRNKWZYVADAOV-DTQAZKPQSA-N
XLogP5.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.40
LogP ≤ 55.21
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
(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine
CID 139423709
(10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine
CID 155158155
10-Fluoro-2-methyl-4-methylideneundecane-3,6-diimine
CID 155158434
(3R,5S)-5-fluoro-6-(fluoromethyl)-3,7-dimethyloct-7-en-4-imine
CID 173772004
4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617
2,5-Dimethylhept-1-en-3-imine
CID 91222633
4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine
CID 91435545
3,7,8,10-Tetramethyldodec-9-en-4-imine
CID 91500026
1-[2-(3-Ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine
CID 118396529
7-Methyloct-7-en-2-imine
CID 123136673
1-(2-Prop-1-en-2-ylcyclohexyl)ethanimine
CID 123166436

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enyl)-4-propyloctan-2-imine?
The IUPAC name of 3-(2-methylprop-2-enyl)-4-propyloctan-2-imine (CID 90894242) is 3-(2-methylprop-2-enyl)-4-propyloctan-2-imine.
What is the SMILES notation for 3-(2-methylprop-2-enyl)-4-propyloctan-2-imine?
The canonical SMILES for 3-(2-methylprop-2-enyl)-4-propyloctan-2-imine is [H]/N=C(\C)C(CC(=C)C)C(CCC)CCCC.
What is the InChIKey of 3-(2-methylprop-2-enyl)-4-propyloctan-2-imine?
The InChIKey is ZLRNKWZYVADAOV-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H29N/c1-6-8-10-14(9-7-2)15(13(5)16)11-12(3)4/h14-16H,3,6-11H2,1-2,4-5H3/b16-13+.
What are the key properties of 3-(2-methylprop-2-enyl)-4-propyloctan-2-imine?
3-(2-methylprop-2-enyl)-4-propyloctan-2-imine has a molecular weight of 223.40 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enyl)-4-propyloctan-2-imine is sourced from PubChem (CID 90894242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).