N-(3-amino-2-methylpropyl)-2-methylbutanamide

C9H20N2O — CID 62666098

IUPACN-(3-amino-2-methylpropyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(C)CN
InChIInChI=1S/C9H20N2O/c1-4-8(3)9(12)11-6-7(2)5-10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyNPIDTPYTHAIJHY-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.74
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-methylbutanamide

N-(3-amino-2-methylpropyl)-2-methylbutanamide (PubChem CID 62666098) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-methylbutanamide
PubChem CID62666098
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(3-amino-2-methylpropyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(C)CN
InChIInChI=1S/C9H20N2O/c1-4-8(3)9(12)11-6-7(2)5-10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyNPIDTPYTHAIJHY-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide
CID 81478398
3-methyl-4-(2-methylbutanoylamino)butanoic acid
CID 81064601
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
N-(3-amino-2-methylpropyl)-3-cyclohexyl-2-methylpropanamide
CID 119996085
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide
CID 118357196
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
3-(3-amino-2-methylpropyl)-1,1-diethylurea
CID 79154789
3-amino-2-methoxy-N-(2-methylbutyl)propanamide
CID 106112770
(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
CID 97227824
2-hydroxy-3-(2-methylbutanoylamino)propanoic acid
CID 66167020

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-methylbutanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-methylbutanamide (CID 62666098) is N-(3-amino-2-methylpropyl)-2-methylbutanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-methylbutanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-methylbutanamide is CCC(C)C(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-methylbutanamide?
The InChIKey is NPIDTPYTHAIJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-8(3)9(12)11-6-7(2)5-10/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of N-(3-amino-2-methylpropyl)-2-methylbutanamide?
N-(3-amino-2-methylpropyl)-2-methylbutanamide has a molecular weight of 172.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-methylbutanamide is sourced from PubChem (CID 62666098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).