N-(4-aminobutan-2-yl)-2-methylpropanamide

C8H18N2O — CID 62087211

IUPACN-(4-aminobutan-2-yl)-2-methylpropanamide
SMILESCC(CCN)NC(=O)C(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)8(11)10-7(3)4-5-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyJDRBWJQMKDWQJH-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.50
Rot. Bonds4

About N-(4-aminobutan-2-yl)-2-methylpropanamide

N-(4-aminobutan-2-yl)-2-methylpropanamide (PubChem CID 62087211) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-2-methylpropanamide
PubChem CID62087211
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-(4-aminobutan-2-yl)-2-methylpropanamide
SMILESCC(CCN)NC(=O)C(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)8(11)10-7(3)4-5-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyJDRBWJQMKDWQJH-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
CID 130636581
N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen
CID 153349361
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
3-(4-aminobutan-2-yl)-1,1-dimethylurea
CID 79154286
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
propan-2-yl N-(4-aminobutan-2-yl)carbamate
CID 62094213
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide
CID 62093157
N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
CID 115662209
N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide
CID 22973200
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
acetyloxymethyl 4-(2-methylpropanoylamino)pentanoate
CID 145008702

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-2-methylpropanamide?
The IUPAC name of N-(4-aminobutan-2-yl)-2-methylpropanamide (CID 62087211) is N-(4-aminobutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-2-methylpropanamide is CC(CCN)NC(=O)C(C)C.
What is the InChIKey of N-(4-aminobutan-2-yl)-2-methylpropanamide?
The InChIKey is JDRBWJQMKDWQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)8(11)10-7(3)4-5-9/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of N-(4-aminobutan-2-yl)-2-methylpropanamide?
N-(4-aminobutan-2-yl)-2-methylpropanamide has a molecular weight of 158.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 62087211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).