N,N-diethyl-1-methylcyclopropane-1-carboxamide

C9H17NO — CID 45084395

IUPACN,N-diethyl-1-methylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(C)CC1
InChIInChI=1S/C9H17NO/c1-4-10(5-2)8(11)9(3)6-7-9/h4-7H2,1-3H3
InChIKeyBKQBGIXZGHYTHG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds3

About N,N-diethyl-1-methylcyclopropane-1-carboxamide

N,N-diethyl-1-methylcyclopropane-1-carboxamide (PubChem CID 45084395) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N,N-diethyl-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methylcyclopropane-1-carboxamide
PubChem CID45084395
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN,N-diethyl-1-methylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(C)CC1
InChIInChI=1S/C9H17NO/c1-4-10(5-2)8(11)9(3)6-7-9/h4-7H2,1-3H3
InChIKeyBKQBGIXZGHYTHG-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N,N-diethyl-1-methylcyclopropane-1-carboxamide (CID 45084395) is N,N-diethyl-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N,N-diethyl-1-methylcyclopropane-1-carboxamide is CCN(CC)C(=O)C1(C)CC1.
What is the InChIKey of N,N-diethyl-1-methylcyclopropane-1-carboxamide?
The InChIKey is BKQBGIXZGHYTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-10(5-2)8(11)9(3)6-7-9/h4-7H2,1-3H3.
What are the key properties of N,N-diethyl-1-methylcyclopropane-1-carboxamide?
N,N-diethyl-1-methylcyclopropane-1-carboxamide has a molecular weight of 155.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 45084395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).