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

2-amino-N-[2-[2-[cyclopropyl(methyl)amino]propylamino]-2-oxoethyl]acetamide
CID 104872590
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]acetamide
CID 43180189
1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110945531
N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 113219499
2-(4-aminopiperidin-1-yl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 103814367
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]butanamide;dihydrochloride
CID 119875597
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62436873
N-[2-(butan-2-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 112990807
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]pentanamide
CID 106813359
N-butan-2-yl-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
CID 119756291

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).