(1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide

C9H17NO — CID 131110445

IUPAC(1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCCN(C)C(=O)[C@H]1CC1(C)C
InChIInChI=1S/C9H17NO/c1-5-10(4)8(11)7-6-9(7,2)3/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyRBAPECYZAGYNQL-SSDOTTSWSA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds2

About (1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide

(1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide (PubChem CID 131110445) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide
PubChem CID131110445
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCCN(C)C(=O)[C@H]1CC1(C)C
InChIInChI=1S/C9H17NO/c1-5-10(4)8(11)7-6-9(7,2)3/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyRBAPECYZAGYNQL-SSDOTTSWSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

Piperidine,1-(2,2,4,4-tetramethylvaleryl)-
CID 208728
Cyclopropanecarboxamide, N,N,2,2,3,3-hexamethyl-
CID 11263734
N-ethyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11480684
US10730889, Example 32
CID 89793408
trans-(1S,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide
CID 102327283
Tetramethylpiperidon
CID 18413099
N,N,1,2-tetramethylcyclopropane-1-carboxamide
CID 54017435
Hexamethylpiperidone
CID 129812397
N,N-di(butan-2-yl)-2-cyclopropylacetamide
CID 86795417
2-cyclopropyl-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 126799145
N,N,2,2-Tetraethyl-3-methylbutyramide
CID 3016602
N,N,2,2,4-Pentamethylvaleramide
CID 3022208

Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide (CID 131110445) is (1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide is CCN(C)C(=O)[C@H]1CC1(C)C.
What is the InChIKey of (1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide?
The InChIKey is RBAPECYZAGYNQL-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-10(4)8(11)7-6-9(7,2)3/h7H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of (1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide?
(1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide has a molecular weight of 155.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 131110445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).