N-(2-aminobutyl)-4-methylpentanamide

C10H22N2O — CID 63730752

IUPACN-(2-aminobutyl)-4-methylpentanamide
SMILESCCC(N)CNC(=O)CCC(C)C
InChIInChI=1S/C10H22N2O/c1-4-9(11)7-12-10(13)6-5-8(2)3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyOGFAHKGZWCVCRP-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds6

About N-(2-aminobutyl)-4-methylpentanamide

N-(2-aminobutyl)-4-methylpentanamide (PubChem CID 63730752) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-(2-aminobutyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-4-methylpentanamide
PubChem CID63730752
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-(2-aminobutyl)-4-methylpentanamide
SMILESCCC(N)CNC(=O)CCC(C)C
InChIInChI=1S/C10H22N2O/c1-4-9(11)7-12-10(13)6-5-8(2)3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyOGFAHKGZWCVCRP-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

2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
N-(2-aminobutyl)-4-(dimethylamino)butanamide
CID 175578312
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
CID 107261286
N-[2-(diethylamino)propyl]-4-methylpentanamide
CID 86982986
N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014441
N-(2-aminopentyl)pentanamide
CID 115737691
N-[(2R)-2-(ethylamino)propyl]-4-methylpentanamide;hydrochloride
CID 120650462
N-(2-aminobutyl)-3-(4-methylphenyl)propanamide
CID 63733649
N-(2-amino-4-methylpentyl)dodecanamide
CID 107158867
N-(2-aminobutyl)-2-cyclopropylacetamide
CID 63733245

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-4-methylpentanamide?
The IUPAC name of N-(2-aminobutyl)-4-methylpentanamide (CID 63730752) is N-(2-aminobutyl)-4-methylpentanamide.
What is the SMILES notation for N-(2-aminobutyl)-4-methylpentanamide?
The canonical SMILES for N-(2-aminobutyl)-4-methylpentanamide is CCC(N)CNC(=O)CCC(C)C.
What is the InChIKey of N-(2-aminobutyl)-4-methylpentanamide?
The InChIKey is OGFAHKGZWCVCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-9(11)7-12-10(13)6-5-8(2)3/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of N-(2-aminobutyl)-4-methylpentanamide?
N-(2-aminobutyl)-4-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 N-(2-aminobutyl)-4-methylpentanamide is sourced from PubChem (CID 63730752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).