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

C10H22N2O — CID 62092208

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

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

N-(4-aminobutan-2-yl)-4-methylpentanamide (PubChem CID 62092208) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-4-methylpentanamide
PubChem CID62092208
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-(4-aminobutan-2-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC(C)CCN
InChIInChI=1S/C10H22N2O/c1-8(2)4-5-10(13)12-9(3)6-7-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyPITKJRHRAPRBMK-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-(4-aminobutan-2-yl)octanamide
CID 62087208
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide
CID 62092791
3-amino-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 93083457
3-amino-N-butan-2-ylpropanamide
CID 16784988
N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
CID 88911666
N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205439
4-(2-aminoethyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-methylhexanamide
CID 107219019
N-(4-aminobutan-2-yl)-2-methylpropanamide
CID 62087211
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid
CID 82847592
N-(4-aminobutan-2-yl)-3,4,4-trimethylpentanamide
CID 63832497
5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-4-methylpentanamide?
The IUPAC name of N-(4-aminobutan-2-yl)-4-methylpentanamide (CID 62092208) is N-(4-aminobutan-2-yl)-4-methylpentanamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-4-methylpentanamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-4-methylpentanamide is CC(C)CCC(=O)NC(C)CCN.
What is the InChIKey of N-(4-aminobutan-2-yl)-4-methylpentanamide?
The InChIKey is PITKJRHRAPRBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)4-5-10(13)12-9(3)6-7-11/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of N-(4-aminobutan-2-yl)-4-methylpentanamide?
N-(4-aminobutan-2-yl)-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-(4-aminobutan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 62092208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).