N-(2-ethylbut-1-enyl)propan-1-imine

C9H17N — CID 118048893

IUPACN-(2-ethylbut-1-enyl)propan-1-imine
SMILESCC/C=N/C=C(CC)CC
InChIInChI=1S/C9H17N/c1-4-7-10-8-9(5-2)6-3/h7-8H,4-6H2,1-3H3/b10-7+
InChIKeyHGCNTYIKSCHOED-JXMROGBWSA-N
MW139.24 g/mol
LogP3.17
Rot. Bonds4

About N-(2-ethylbut-1-enyl)propan-1-imine

N-(2-ethylbut-1-enyl)propan-1-imine (PubChem CID 118048893) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-(2-ethylbut-1-enyl)propan-1-imine.

Molecular Properties

Compound NameN-(2-ethylbut-1-enyl)propan-1-imine
PubChem CID118048893
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-(2-ethylbut-1-enyl)propan-1-imine
SMILESCC/C=N/C=C(CC)CC
InChIInChI=1S/C9H17N/c1-4-7-10-8-9(5-2)6-3/h7-8H,4-6H2,1-3H3/b10-7+
InChIKeyHGCNTYIKSCHOED-JXMROGBWSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

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5-Ethyl-3,4-dihydropyridine
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Isobutenylbutylidenamin
CID 90805047
N-[(E)-2-fluorohex-1-enyl]propan-1-imine
CID 137400300
3,7-Diethyl-5-azanona-3,5-diene
CID 12413470
N-propylidene-(2-methylpropenylamine)
CID 12941767
N-(cyclohexylidenemethyl)propan-1-imine
CID 12942395
5-Methyl-3,4-dihydropyridine
CID 14979264
N-heptylidene-(2-methylpropenylamine)
CID 20436098
4-methyl-3H-pyrrole
CID 21136130
4-ethyl-3H-pyrrole
CID 21341367
4-tert-butyl-3H-pyrrole
CID 22561576

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbut-1-enyl)propan-1-imine?
The IUPAC name of N-(2-ethylbut-1-enyl)propan-1-imine (CID 118048893) is N-(2-ethylbut-1-enyl)propan-1-imine.
What is the SMILES notation for N-(2-ethylbut-1-enyl)propan-1-imine?
The canonical SMILES for N-(2-ethylbut-1-enyl)propan-1-imine is CC/C=N/C=C(CC)CC.
What is the InChIKey of N-(2-ethylbut-1-enyl)propan-1-imine?
The InChIKey is HGCNTYIKSCHOED-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17N/c1-4-7-10-8-9(5-2)6-3/h7-8H,4-6H2,1-3H3/b10-7+.
What are the key properties of N-(2-ethylbut-1-enyl)propan-1-imine?
N-(2-ethylbut-1-enyl)propan-1-imine has a molecular weight of 139.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbut-1-enyl)propan-1-imine is sourced from PubChem (CID 118048893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).