trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide

C9H17NO — CID 102327283

IUPACtrans-(1S,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-YUMQZZPRSA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds3

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

trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide (PubChem CID 102327283) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide
PubChem CID102327283
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nametrans-(1S,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-YUMQZZPRSA-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

Analyze trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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,2-trimethylpentanamide
CID 4477108
N,N,3-trimethylpentanamide
CID 85290591

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide (CID 102327283) is trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide is CCN(CC)C(=O)[C@H]1C[C@@H]1C.
What is the InChIKey of trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide?
The InChIKey is ZMPWLYHZKNHZBN-YUMQZZPRSA-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 trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide?
trans-(1S,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 trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 102327283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).