2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide

C13H29N3O — CID 54963536

IUPAC2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC(C)CCN(C)C
InChIInChI=1S/C13H29N3O/c1-6-7-12(3)15-13(17)10-14-11(2)8-9-16(4)5/h11-12,14H,6-10H2,1-5H3,(H,15,17)
InChIKeyFRGWDHLCPZLAHB-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.22
Rot. Bonds9

About 2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide

2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide (PubChem CID 54963536) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide
PubChem CID54963536
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC(C)CCN(C)C
InChIInChI=1S/C13H29N3O/c1-6-7-12(3)15-13(17)10-14-11(2)8-9-16(4)5/h11-12,14H,6-10H2,1-5H3,(H,15,17)
InChIKeyFRGWDHLCPZLAHB-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
CID 28569844
2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide
CID 114416749
5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide
CID 82851936
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide
CID 104891892
2-(cyclopentylamino)-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 54968434
N-(3-methylbutyl)-2-(pentan-2-ylamino)acetamide
CID 60672196
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]acetamide
CID 43180189
N-pentan-2-yl-2-(1-phenylethylamino)acetamide
CID 60684136
N-ethyl-2-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]acetamide
CID 60695403
2-(1-cyclohexylethylamino)-N-pentan-2-ylacetamide
CID 62406812

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide (CID 54963536) is 2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNC(C)CCN(C)C.
What is the InChIKey of 2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide?
The InChIKey is FRGWDHLCPZLAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-7-12(3)15-13(17)10-14-11(2)8-9-16(4)5/h11-12,14H,6-10H2,1-5H3,(H,15,17).
What are the key properties of 2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide?
2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide has a molecular weight of 243.39 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 54963536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).