N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine

C10H17N — CID 138460916

IUPACN-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine
SMILESC=C1C(CC)C1(CC)/N=C/C
InChIInChI=1S/C10H17N/c1-5-9-8(4)10(9,6-2)11-7-3/h7,9H,4-6H2,1-3H3/b11-7+
InChIKeyJOWMSWFUTJXBRQ-YRNVUSSQSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds3

About N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine

N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine (PubChem CID 138460916) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine.

Molecular Properties

Compound NameN-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine
PubChem CID138460916
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine
SMILESC=C1C(CC)C1(CC)/N=C/C
InChIInChI=1S/C10H17N/c1-5-9-8(4)10(9,6-2)11-7-3/h7,9H,4-6H2,1-3H3/b11-7+
InChIKeyJOWMSWFUTJXBRQ-YRNVUSSQSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine?
The IUPAC name of N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine (CID 138460916) is N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine.
What is the SMILES notation for N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine?
The canonical SMILES for N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine is C=C1C(CC)C1(CC)/N=C/C.
What is the InChIKey of N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine?
The InChIKey is JOWMSWFUTJXBRQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17N/c1-5-9-8(4)10(9,6-2)11-7-3/h7,9H,4-6H2,1-3H3/b11-7+.
What are the key properties of N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine?
N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine has a molecular weight of 151.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine is sourced from PubChem (CID 138460916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).