3-propyloct-7-en-2-imine

C11H21N — CID 123397388

IUPAC3-propyloct-7-en-2-imine
SMILES[H]/N=C(\C)C(CCC)CCCC=C
InChIInChI=1S/C11H21N/c1-4-6-7-9-11(8-5-2)10(3)12/h4,11-12H,1,5-9H2,2-3H3/b12-10+
InChIKeyILTLTSHWWZKNDR-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.80
Rot. Bonds7

About 3-propyloct-7-en-2-imine

3-propyloct-7-en-2-imine (PubChem CID 123397388) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-propyloct-7-en-2-imine.

Molecular Properties

Compound Name3-propyloct-7-en-2-imine
PubChem CID123397388
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-propyloct-7-en-2-imine
SMILES[H]/N=C(\C)C(CCC)CCCC=C
InChIInChI=1S/C11H21N/c1-4-6-7-9-11(8-5-2)10(3)12/h4,11-12H,1,5-9H2,2-3H3/b12-10+
InChIKeyILTLTSHWWZKNDR-ZRDIBKRKSA-N
XLogP3.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.80
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
1-Cyclohexyl-imino-2-butene
CID 129765474
4-[(Z)-but-2-enyl]cyclohexan-1-imine
CID 89040034
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429
(E)-5-ethyl-6-methylundec-6-en-4-imine
CID 89117109
5-(2-Ethenylcyclopropyl)pent-1-en-3-imine
CID 90754586
3-(2-Methylprop-2-enyl)-4-propyloctan-2-imine
CID 90894242
1-[2-[(4-Methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine
CID 90959682
2,5-Dimethylhept-1-en-3-imine
CID 91222633
2-Propylcyclopent-3-en-1-imine
CID 91310848
1-Cyclohex-3-en-1-ylpropan-1-imine
CID 91368930
4-Methylhept-6-en-3-imine
CID 123204332

Frequently Asked Questions

What is the IUPAC name of 3-propyloct-7-en-2-imine?
The IUPAC name of 3-propyloct-7-en-2-imine (CID 123397388) is 3-propyloct-7-en-2-imine.
What is the SMILES notation for 3-propyloct-7-en-2-imine?
The canonical SMILES for 3-propyloct-7-en-2-imine is [H]/N=C(\C)C(CCC)CCCC=C.
What is the InChIKey of 3-propyloct-7-en-2-imine?
The InChIKey is ILTLTSHWWZKNDR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-4-6-7-9-11(8-5-2)10(3)12/h4,11-12H,1,5-9H2,2-3H3/b12-10+.
What are the key properties of 3-propyloct-7-en-2-imine?
3-propyloct-7-en-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyloct-7-en-2-imine is sourced from PubChem (CID 123397388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).