2-(butan-2-ylamino)-N',N'-dimethylbutanediamide

C10H21N3O2 — CID 66431267

IUPAC2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
SMILESCCC(C)NC(CC(=O)N(C)C)C(N)=O
InChIInChI=1S/C10H21N3O2/c1-5-7(2)12-8(10(11)15)6-9(14)13(3)4/h7-8,12H,5-6H2,1-4H3,(H2,11,15)
InChIKeyITDZXJJTWVOUBE-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.29
Rot. Bonds6

About 2-(butan-2-ylamino)-N',N'-dimethylbutanediamide

2-(butan-2-ylamino)-N',N'-dimethylbutanediamide (PubChem CID 66431267) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N',N'-dimethylbutanediamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
PubChem CID66431267
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
SMILESCCC(C)NC(CC(=O)N(C)C)C(N)=O
InChIInChI=1S/C10H21N3O2/c1-5-7(2)12-8(10(11)15)6-9(14)13(3)4/h7-8,12H,5-6H2,1-4H3,(H2,11,15)
InChIKeyITDZXJJTWVOUBE-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate
CID 66432765
2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 66431515
2-(butan-2-ylamino)-N'-cyclopropylbutanediamide
CID 66431014
(4S)-5-amino-4-(butan-2-ylamino)-5-oxopentanoic acid
CID 87360410
2-(cyclopentylamino)-N',N'-dimethylbutanediamide
CID 66430853
2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
CID 174420695
6-amino-2-(butan-2-ylamino)hexanamide
CID 129101574
2-(propan-2-ylamino)butanediamide
CID 66427979
3-(butan-2-ylamino)-4-oxopentanoic acid
CID 82322638
3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide
CID 110878963
4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid
CID 87751829
2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N',N'-dimethylbutanediamide?
The IUPAC name of 2-(butan-2-ylamino)-N',N'-dimethylbutanediamide (CID 66431267) is 2-(butan-2-ylamino)-N',N'-dimethylbutanediamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N',N'-dimethylbutanediamide?
The canonical SMILES for 2-(butan-2-ylamino)-N',N'-dimethylbutanediamide is CCC(C)NC(CC(=O)N(C)C)C(N)=O.
What is the InChIKey of 2-(butan-2-ylamino)-N',N'-dimethylbutanediamide?
The InChIKey is ITDZXJJTWVOUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-5-7(2)12-8(10(11)15)6-9(14)13(3)4/h7-8,12H,5-6H2,1-4H3,(H2,11,15).
What are the key properties of 2-(butan-2-ylamino)-N',N'-dimethylbutanediamide?
2-(butan-2-ylamino)-N',N'-dimethylbutanediamide has a molecular weight of 215.30 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N',N'-dimethylbutanediamide is sourced from PubChem (CID 66431267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).