5-amino-N-butan-2-yl-2-methylpentanamide

C10H22N2O — CID 112515136

IUPAC5-amino-N-butan-2-yl-2-methylpentanamide
SMILESCCC(C)NC(=O)C(C)CCCN
InChIInChI=1S/C10H22N2O/c1-4-9(3)12-10(13)8(2)6-5-7-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyBLOKFOHMKRCMQL-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds6

About 5-amino-N-butan-2-yl-2-methylpentanamide

5-amino-N-butan-2-yl-2-methylpentanamide (PubChem CID 112515136) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 5-amino-N-butan-2-yl-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-butan-2-yl-2-methylpentanamide
PubChem CID112515136
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name5-amino-N-butan-2-yl-2-methylpentanamide
SMILESCCC(C)NC(=O)C(C)CCCN
InChIInChI=1S/C10H22N2O/c1-4-9(3)12-10(13)8(2)6-5-7-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyBLOKFOHMKRCMQL-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
CID 103868754
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
5-amino-2-methyl-N-octan-4-ylpentanamide
CID 106025739
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 104685369
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 104684708
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 107825086
5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide
CID 104683907
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide
CID 178053261
methyl (2S)-2-[(5-amino-2-methylpentanoyl)amino]-4-methylpentanoate
CID 104685550

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butan-2-yl-2-methylpentanamide?
The IUPAC name of 5-amino-N-butan-2-yl-2-methylpentanamide (CID 112515136) is 5-amino-N-butan-2-yl-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-butan-2-yl-2-methylpentanamide?
The canonical SMILES for 5-amino-N-butan-2-yl-2-methylpentanamide is CCC(C)NC(=O)C(C)CCCN.
What is the InChIKey of 5-amino-N-butan-2-yl-2-methylpentanamide?
The InChIKey is BLOKFOHMKRCMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-9(3)12-10(13)8(2)6-5-7-11/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 5-amino-N-butan-2-yl-2-methylpentanamide?
5-amino-N-butan-2-yl-2-methylpentanamide has a molecular weight of 186.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butan-2-yl-2-methylpentanamide is sourced from PubChem (CID 112515136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).