2-(1-ethyl-2-methylcyclopropyl)propan-1-imine

C9H17N — CID 123378786

IUPAC2-(1-ethyl-2-methylcyclopropyl)propan-1-imine
SMILES[H]/N=C/C(C)C1(CC)CC1C
InChIInChI=1S/C9H17N/c1-4-9(5-7(9)2)8(3)6-10/h6-8,10H,4-5H2,1-3H3/b10-6+
InChIKeyWAFQJAYWHXHWDW-UXBLZVDNSA-N
MW139.24 g/mol
LogP2.71
Rot. Bonds3

About 2-(1-ethyl-2-methylcyclopropyl)propan-1-imine

2-(1-ethyl-2-methylcyclopropyl)propan-1-imine (PubChem CID 123378786) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-(1-ethyl-2-methylcyclopropyl)propan-1-imine.

Molecular Properties

Compound Name2-(1-ethyl-2-methylcyclopropyl)propan-1-imine
PubChem CID123378786
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-(1-ethyl-2-methylcyclopropyl)propan-1-imine
SMILES[H]/N=C/C(C)C1(CC)CC1C
InChIInChI=1S/C9H17N/c1-4-9(5-7(9)2)8(3)6-10/h6-8,10H,4-5H2,1-3H3/b10-6+
InChIKeyWAFQJAYWHXHWDW-UXBLZVDNSA-N
XLogP2.71
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1-ethyl-2-methylcyclopropyl)pentane-1-thiol
CID 139541243
5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine
CID 163761347
1-ethyl-1,2-di(propan-2-yl)cyclopropane
CID 140630902
2,4-dimethylhexan-1-imine
CID 88882138
1,1-diethyl-3-propan-2-ylcyclobutane
CID 162172993
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155
2-ethoxypropane-1,3-diimine
CID 123387663
4-ethyl-2-methyl-3-propan-2-yl-2-azabicyclo[2.1.0]pentane
CID 139469446
(Z)-6-fluoro-2-methylhept-3-en-1-imine
CID 88562245
1-ethyl-3-methyl-2-propan-2-ylbicyclo[2.1.0]pentane
CID 123608958

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-methylcyclopropyl)propan-1-imine?
The IUPAC name of 2-(1-ethyl-2-methylcyclopropyl)propan-1-imine (CID 123378786) is 2-(1-ethyl-2-methylcyclopropyl)propan-1-imine.
What is the SMILES notation for 2-(1-ethyl-2-methylcyclopropyl)propan-1-imine?
The canonical SMILES for 2-(1-ethyl-2-methylcyclopropyl)propan-1-imine is [H]/N=C/C(C)C1(CC)CC1C.
What is the InChIKey of 2-(1-ethyl-2-methylcyclopropyl)propan-1-imine?
The InChIKey is WAFQJAYWHXHWDW-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H17N/c1-4-9(5-7(9)2)8(3)6-10/h6-8,10H,4-5H2,1-3H3/b10-6+.
What are the key properties of 2-(1-ethyl-2-methylcyclopropyl)propan-1-imine?
2-(1-ethyl-2-methylcyclopropyl)propan-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-methylcyclopropyl)propan-1-imine is sourced from PubChem (CID 123378786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).