2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide

C12H27N3O — CID 62007957

IUPAC2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(C)C(C)(C)CN
InChIInChI=1S/C12H27N3O/c1-10(2)6-7-14-11(16)8-15(5)12(3,4)9-13/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyRJBBFXHYDFTUEX-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.82
Rot. Bonds7

About 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide

2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide (PubChem CID 62007957) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide
PubChem CID62007957
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(C)C(C)(C)CN
InChIInChI=1S/C12H27N3O/c1-10(2)6-7-14-11(16)8-15(5)12(3,4)9-13/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyRJBBFXHYDFTUEX-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide
CID 113227840
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 62004877
2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 61425411
2-[bis(2-hydroxyethyl)amino]-N-(3-methylbutyl)acetamide
CID 60686353
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108960555
4-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]butanoic acid
CID 55005840
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 47010650
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide
CID 28942423
N-(2-aminoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332906

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide (CID 62007957) is 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN(C)C(C)(C)CN.
What is the InChIKey of 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide?
The InChIKey is RJBBFXHYDFTUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10(2)6-7-14-11(16)8-15(5)12(3,4)9-13/h10H,6-9,13H2,1-5H3,(H,14,16).
What are the key properties of 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide?
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide has a molecular weight of 229.37 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 62007957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).