4-amino-2-methyl-N-propan-2-ylbutanamide

C8H18N2O — CID 80541541

IUPAC4-amino-2-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(C)CCN
InChIInChI=1S/C8H18N2O/c1-6(2)10-8(11)7(3)4-5-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyFDAGTAHDLKEZTF-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.50
Rot. Bonds4

About 4-amino-2-methyl-N-propan-2-ylbutanamide

4-amino-2-methyl-N-propan-2-ylbutanamide (PubChem CID 80541541) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-amino-2-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-propan-2-ylbutanamide
PubChem CID80541541
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name4-amino-2-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(C)CCN
InChIInChI=1S/C8H18N2O/c1-6(2)10-8(11)7(3)4-5-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyFDAGTAHDLKEZTF-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 ≤ 500158.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-propan-2-ylpentanamide
CID 4628268
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180
2-methyl-N-propan-2-ylhexanamide
CID 19752015
2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
CID 80542489
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
2-[(4-amino-2-methylbutanoyl)amino]-3-methylpentanoic acid
CID 80543638
4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
CID 107221139
4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
CID 80541244
4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 80542445
4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide
CID 80543602
2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787220
2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-2-methyl-N-propan-2-ylbutanamide (CID 80541541) is 4-amino-2-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-2-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-2-methyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(C)CCN.
What is the InChIKey of 4-amino-2-methyl-N-propan-2-ylbutanamide?
The InChIKey is FDAGTAHDLKEZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)10-8(11)7(3)4-5-9/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 4-amino-2-methyl-N-propan-2-ylbutanamide?
4-amino-2-methyl-N-propan-2-ylbutanamide has a molecular weight of 158.24 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 4-amino-2-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 80541541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).