4-amino-N-butan-2-yl-N,3-dimethylbutanamide

C10H22N2O — CID 81072119

IUPAC4-amino-N-butan-2-yl-N,3-dimethylbutanamide
SMILESCCC(C)N(C)C(=O)CC(C)CN
InChIInChI=1S/C10H22N2O/c1-5-9(3)12(4)10(13)6-8(2)7-11/h8-9H,5-7,11H2,1-4H3
InChIKeyVMUAGJIVXAIIEO-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.23
Rot. Bonds5

About 4-amino-N-butan-2-yl-N,3-dimethylbutanamide

4-amino-N-butan-2-yl-N,3-dimethylbutanamide (PubChem CID 81072119) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-N,3-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-N,3-dimethylbutanamide
PubChem CID81072119
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-amino-N-butan-2-yl-N,3-dimethylbutanamide
SMILESCCC(C)N(C)C(=O)CC(C)CN
InChIInChI=1S/C10H22N2O/c1-5-9(3)12(4)10(13)6-8(2)7-11/h8-9H,5-7,11H2,1-4H3
InChIKeyVMUAGJIVXAIIEO-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 81086981
3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide
CID 81072118
4-amino-3-methyl-N,N-dipropylbutanamide
CID 81070980
4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
CID 81087355
N-(1-aminopropan-2-yl)-N,3,4,4-tetramethylpentanamide
CID 115737332
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide
CID 81087863
4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82964992
N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide
CID 167181604
N-(1-cyanoethyl)-N,3-dimethylpentanamide
CID 114874733
4-amino-3-[butan-2-yl(methyl)amino]butanamide
CID 66426678
3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950260
4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide
CID 103155184

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-N,3-dimethylbutanamide?
The IUPAC name of 4-amino-N-butan-2-yl-N,3-dimethylbutanamide (CID 81072119) is 4-amino-N-butan-2-yl-N,3-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-N,3-dimethylbutanamide?
The canonical SMILES for 4-amino-N-butan-2-yl-N,3-dimethylbutanamide is CCC(C)N(C)C(=O)CC(C)CN.
What is the InChIKey of 4-amino-N-butan-2-yl-N,3-dimethylbutanamide?
The InChIKey is VMUAGJIVXAIIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-9(3)12(4)10(13)6-8(2)7-11/h8-9H,5-7,11H2,1-4H3.
What are the key properties of 4-amino-N-butan-2-yl-N,3-dimethylbutanamide?
4-amino-N-butan-2-yl-N,3-dimethylbutanamide has a molecular weight of 186.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-N,3-dimethylbutanamide is sourced from PubChem (CID 81072119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).