ethane;N-(2-methylpent-4-enyl)propan-1-imine

C11H23N — CID 143371441

IUPACethane;N-(2-methylpent-4-enyl)propan-1-imine
SMILESC=CCC(C)C/N=C/CC.CC
InChIInChI=1S/C9H17N.C2H6/c1-4-6-9(3)8-10-7-5-2;1-2/h4,7,9H,1,5-6,8H2,2-3H3;1-2H3/b10-7+;
InChIKeyUJZLBJNHPQLZFX-HCUGZAAXSA-N
MW169.31 g/mol
LogP3.71
Rot. Bonds5

About ethane;N-(2-methylpent-4-enyl)propan-1-imine

ethane;N-(2-methylpent-4-enyl)propan-1-imine (PubChem CID 143371441) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;N-(2-methylpent-4-enyl)propan-1-imine.

Molecular Properties

Compound Nameethane;N-(2-methylpent-4-enyl)propan-1-imine
PubChem CID143371441
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;N-(2-methylpent-4-enyl)propan-1-imine
SMILESC=CCC(C)C/N=C/CC.CC
InChIInChI=1S/C9H17N.C2H6/c1-4-6-9(3)8-10-7-5-2;1-2/h4,7,9H,1,5-6,8H2,2-3H3;1-2H3/b10-7+;
InChIKeyUJZLBJNHPQLZFX-HCUGZAAXSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.71
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

2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine
CID 170076014
(1E)-3,3-Dimethyl-N-(2-methylpropyl)pent-4-en-1-imine
CID 13119721
(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
Allyl-(2-methyl-pent-4-enylidene)-amine
CID 13443029
(4Z,8Z)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 20436153
2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
(4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 22811541
Allyl-(2,2-dimethyl-pent-4-enylidene)-amine
CID 22928390
3,12,12-Trimethyl-1-aza-1,5,9-cyclododecatriene
CID 53687623
N-pentylhex-5-en-1-imine
CID 57013677
N-pentylpent-4-en-1-imine
CID 57181324
2-methyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59967158

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylpent-4-enyl)propan-1-imine?
The IUPAC name of ethane;N-(2-methylpent-4-enyl)propan-1-imine (CID 143371441) is ethane;N-(2-methylpent-4-enyl)propan-1-imine.
What is the SMILES notation for ethane;N-(2-methylpent-4-enyl)propan-1-imine?
The canonical SMILES for ethane;N-(2-methylpent-4-enyl)propan-1-imine is C=CCC(C)C/N=C/CC.CC.
What is the InChIKey of ethane;N-(2-methylpent-4-enyl)propan-1-imine?
The InChIKey is UJZLBJNHPQLZFX-HCUGZAAXSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-4-6-9(3)8-10-7-5-2;1-2/h4,7,9H,1,5-6,8H2,2-3H3;1-2H3/b10-7+;.
What are the key properties of ethane;N-(2-methylpent-4-enyl)propan-1-imine?
ethane;N-(2-methylpent-4-enyl)propan-1-imine has a molecular weight of 169.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylpent-4-enyl)propan-1-imine is sourced from PubChem (CID 143371441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).