cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide

C9H17NO — CID 121226955

IUPACcis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C9H17NO/c1-4-10(5-2)9(11)8-6-7(8)3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyZMPWLYHZKNHZBN-JGVFFNPUSA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds3

About cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide (PubChem CID 121226955) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide
PubChem CID121226955
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Namecis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C9H17NO/c1-4-10(5-2)9(11)8-6-7(8)3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyZMPWLYHZKNHZBN-JGVFFNPUSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-Methylpiperidin-1-yl)pentan-1-one
CID 303144
N,N-dipropylpentanamide
CID 304102
Valeramide, N,N,2-tripropyl-
CID 201025
Valeramide, N,N-diethyl-2-propyl-
CID 209794
N,N-Diethyl-3-methylbutanamide
CID 68290
n,n-Diethylpentanamide
CID 285599
N,N-dibutylpentanamide
CID 304103
1-(3,5-Dimethylpiperidyl)-2-methylpentan-1-one
CID 2904846
3-Methyl-1-(1-piperidinyl)-1-butanone
CID 4075318
N,N-diethylcyclopropanecarboxamide
CID 5150881
N,N,3-trimethylpentanamide
CID 85290591
1-(4-Methylpiperidin-1-yl)pentan-1-one
CID 304082

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide (CID 121226955) is cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide?
The InChIKey is ZMPWLYHZKNHZBN-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-10(5-2)9(11)8-6-7(8)3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide has a molecular weight of 155.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 121226955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).