N-(1-aminobutan-2-yl)-2-cyclopropylacetamide

C9H18N2O — CID 63755358

IUPACN-(1-aminobutan-2-yl)-2-cyclopropylacetamide
SMILESCCC(CN)NC(=O)CC1CC1
InChIInChI=1S/C9H18N2O/c1-2-8(6-10)11-9(12)5-7-3-4-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyFZILRYWEHQDVMJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.64
Rot. Bonds5

About N-(1-aminobutan-2-yl)-2-cyclopropylacetamide

N-(1-aminobutan-2-yl)-2-cyclopropylacetamide (PubChem CID 63755358) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-cyclopropylacetamide
PubChem CID63755358
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(1-aminobutan-2-yl)-2-cyclopropylacetamide
SMILESCCC(CN)NC(=O)CC1CC1
InChIInChI=1S/C9H18N2O/c1-2-8(6-10)11-9(12)5-7-3-4-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyFZILRYWEHQDVMJ-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminobutan-2-yl)-2-cycloheptylacetamide
CID 114458426
2-cyclopropyl-N-hex-5-yn-3-ylacetamide
CID 115647127
N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide
CID 62645637
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentylacetamide
CID 63753245
N-(1-bromopentan-3-yl)-2-cycloheptylacetamide
CID 114459144
2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737
N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide
CID 122080965
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
N-(1-aminobutan-2-yl)cyclooctanecarboxamide
CID 65020917
N-(3-amino-2-methylpropyl)-2-cyclopropylacetamide
CID 62667808
2-(4-aminocyclohexyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 62782742
N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide
CID 122080607

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-cyclopropylacetamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-cyclopropylacetamide (CID 63755358) is N-(1-aminobutan-2-yl)-2-cyclopropylacetamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-cyclopropylacetamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-cyclopropylacetamide is CCC(CN)NC(=O)CC1CC1.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-cyclopropylacetamide?
The InChIKey is FZILRYWEHQDVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-8(6-10)11-9(12)5-7-3-4-7/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of N-(1-aminobutan-2-yl)-2-cyclopropylacetamide?
N-(1-aminobutan-2-yl)-2-cyclopropylacetamide has a molecular weight of 170.26 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-2-cyclopropylacetamide is sourced from PubChem (CID 63755358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).