N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide

C13H27N3O — CID 114133096

IUPACN-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide
SMILESCCC(C)NC(=O)CNCC(C)N(C)C1CC1
InChIInChI=1S/C13H27N3O/c1-5-10(2)15-13(17)9-14-8-11(3)16(4)12-6-7-12/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyJWUHWGRIABASIV-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.97
Rot. Bonds8

About N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide

N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide (PubChem CID 114133096) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide
PubChem CID114133096
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide
SMILESCCC(C)NC(=O)CNCC(C)N(C)C1CC1
InChIInChI=1S/C13H27N3O/c1-5-10(2)15-13(17)9-14-8-11(3)16(4)12-6-7-12/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyJWUHWGRIABASIV-UHFFFAOYSA-N
XLogP0.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 100826
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Acetamide, N-(2-(diethylamino)ethyl)-2-(dimethylamino)-
CID 3086952
N-cyclopropyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156687
N-butyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-propylacetamide
CID 49853581
2-(1,4-diazepan-1-yl)-N-(propan-2-yl)acetamide
CID 13270103
L-Alanyl-L-Alanyl-L-Alanyl-L-Alaninamide
CID 5496808
2-(methylamino)-N-(propan-2-yl)acetamide
CID 4962296
N-cyclopropyl-2-(piperazin-1-yl)acetamide
CID 4962600
N-methyl-N-[2-(methylamino)propyl]acetamide
CID 9877403
N1-Cyclopropylglycinamide hydrochloride
CID 16249406

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide (CID 114133096) is N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide is CCC(C)NC(=O)CNCC(C)N(C)C1CC1.
What is the InChIKey of N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide?
The InChIKey is JWUHWGRIABASIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-10(2)15-13(17)9-14-8-11(3)16(4)12-6-7-12/h10-12,14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide?
N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide is sourced from PubChem (CID 114133096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).