N-(2-propylhept-3-enyl)ethanimine

C12H23N — CID 123914768

IUPACN-(2-propylhept-3-enyl)ethanimine
SMILESC/C=N/CC(C=CCCC)CCC
InChIInChI=1S/C12H23N/c1-4-7-8-10-12(9-5-2)11-13-6-3/h6,8,10,12H,4-5,7,9,11H2,1-3H3/b10-8?,13-6+
InChIKeyAZNYCWRORAOKGC-SJJIJRAYSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds7

About N-(2-propylhept-3-enyl)ethanimine

N-(2-propylhept-3-enyl)ethanimine (PubChem CID 123914768) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(2-propylhept-3-enyl)ethanimine.

Molecular Properties

Compound NameN-(2-propylhept-3-enyl)ethanimine
PubChem CID123914768
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(2-propylhept-3-enyl)ethanimine
SMILESC/C=N/CC(C=CCCC)CCC
InChIInChI=1S/C12H23N/c1-4-7-8-10-12(9-5-2)11-13-6-3/h6,8,10,12H,4-5,7,9,11H2,1-3H3/b10-8?,13-6+
InChIKeyAZNYCWRORAOKGC-SJJIJRAYSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
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

(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
CID 129037792
N-[(E)-Methyl](phenyl)-N-[(E)-2-propenylidene]methanaminium
CID 137349817
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
3-Methyl-12-(3-penten-2-yl)-1-aza-1,5,9-cyclododecatriene
CID 54073519
3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine
CID 69923477
(4E,8E)-11-methyl-2-pent-3-en-2-yl-1-azacyclododeca-4,8,12-triene
CID 70505819
(5E,9E)-3-butyl-1-azacyclododeca-1,5,9-triene
CID 70595591
3-Butyl-1-azacyclododeca-1,5,9-triene
CID 70595592
N-[(Z)-2,6,6-trimethyl-3-propan-2-ylhept-4-enyl]butan-1-imine
CID 88870595
3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 89063696
(E)-4-ethenyl-N-methylhept-2-en-1-imine
CID 89064411
(Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine
CID 89165929

Frequently Asked Questions

What is the IUPAC name of N-(2-propylhept-3-enyl)ethanimine?
The IUPAC name of N-(2-propylhept-3-enyl)ethanimine (CID 123914768) is N-(2-propylhept-3-enyl)ethanimine.
What is the SMILES notation for N-(2-propylhept-3-enyl)ethanimine?
The canonical SMILES for N-(2-propylhept-3-enyl)ethanimine is C/C=N/CC(C=CCCC)CCC.
What is the InChIKey of N-(2-propylhept-3-enyl)ethanimine?
The InChIKey is AZNYCWRORAOKGC-SJJIJRAYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-7-8-10-12(9-5-2)11-13-6-3/h6,8,10,12H,4-5,7,9,11H2,1-3H3/b10-8?,13-6+.
What are the key properties of N-(2-propylhept-3-enyl)ethanimine?
N-(2-propylhept-3-enyl)ethanimine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylhept-3-enyl)ethanimine is sourced from PubChem (CID 123914768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).