N-(2-methylprop-1-enyl)pentan-3-imine

C9H17N — CID 90823317

IUPACN-(2-methylprop-1-enyl)pentan-3-imine
SMILESCCC(CC)=NC=C(C)C
InChIInChI=1S/C9H17N/c1-5-9(6-2)10-7-8(3)4/h7H,5-6H2,1-4H3
InChIKeyYNQIJEARKJAALM-UHFFFAOYSA-N
MW139.24 g/mol
LogP3.17
Rot. Bonds3

About N-(2-methylprop-1-enyl)pentan-3-imine

N-(2-methylprop-1-enyl)pentan-3-imine (PubChem CID 90823317) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)pentan-3-imine.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)pentan-3-imine
PubChem CID90823317
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-(2-methylprop-1-enyl)pentan-3-imine
SMILESCCC(CC)=NC=C(C)C
InChIInChI=1S/C9H17N/c1-5-9(6-2)10-7-8(3)4/h7H,5-6H2,1-4H3
InChIKeyYNQIJEARKJAALM-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-N-(1-methylethylidene)-1-propen-1-amine
CID 20436138
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine
CID 168972313
N-cyclohexylidene-(2-methylpropenylamine)
CID 20436157
3-methyl-N-(2-methylprop-1-enyl)butan-2-imine
CID 57823839
2-methyl-N-(2-methylprop-1-enyl)pent-1-en-3-imine
CID 89034155
N-[(E)-2-methylbut-1-enyl]butan-2-imine
CID 89324556
3-N-(2-methylprop-1-enyl)butane-2,3-diimine
CID 89671915
N-(2-methylprop-1-enyl)butan-2-imine
CID 90916248
N-(2-methylbut-1-enyl)propan-2-imine
CID 91106736
N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine
CID 126570524
2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine
CID 131971006
N-(2-propylpent-1-enyl)butan-2-imine
CID 134558167

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)pentan-3-imine?
The IUPAC name of N-(2-methylprop-1-enyl)pentan-3-imine (CID 90823317) is N-(2-methylprop-1-enyl)pentan-3-imine.
What is the SMILES notation for N-(2-methylprop-1-enyl)pentan-3-imine?
The canonical SMILES for N-(2-methylprop-1-enyl)pentan-3-imine is CCC(CC)=NC=C(C)C.
What is the InChIKey of N-(2-methylprop-1-enyl)pentan-3-imine?
The InChIKey is YNQIJEARKJAALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-9(6-2)10-7-8(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N-(2-methylprop-1-enyl)pentan-3-imine?
N-(2-methylprop-1-enyl)pentan-3-imine has a molecular weight of 139.24 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)pentan-3-imine is sourced from PubChem (CID 90823317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).