N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide

C9H20N2O2 — CID 57198564

IUPACN-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide
SMILESCC(C)(CCO)CC(=O)NCCN
InChIInChI=1S/C9H20N2O2/c1-9(2,3-6-12)7-8(13)11-5-4-10/h12H,3-7,10H2,1-2H3,(H,11,13)
InChIKeyBVXAKISIKCAUFS-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.14
Rot. Bonds6

About N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide

N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide (PubChem CID 57198564) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide
PubChem CID57198564
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide
SMILESCC(C)(CCO)CC(=O)NCCN
InChIInChI=1S/C9H20N2O2/c1-9(2,3-6-12)7-8(13)11-5-4-10/h12H,3-7,10H2,1-2H3,(H,11,13)
InChIKeyBVXAKISIKCAUFS-UHFFFAOYSA-N
XLogP-0.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302363
2-acetyl-2-amino-N-(2-aminoethyl)-N'-(2-hydroxyethyl)butanediamide
CID 91073523
N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide
CID 155135234
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
CID 107842588
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106142171
N-[3-[2-(2-aminoethyldisulfanyl)ethylamino]-3-oxopropyl]-4-hydroxy-3,3-dimethylbutanamide
CID 138497832
1-N,1-N,1-N-tris(2-aminoethyl)ethane-1,1,1-tricarboxamide
CID 15388023
3,3,6,6-tetramethyloctanedihydrazide
CID 123887942
N-(2-aminoethyl)-3-oxobutanamide
CID 3020471
5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157683
N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 119382533

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide?
The IUPAC name of N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide (CID 57198564) is N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide.
What is the SMILES notation for N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide?
The canonical SMILES for N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide is CC(C)(CCO)CC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide?
The InChIKey is BVXAKISIKCAUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2,3-6-12)7-8(13)11-5-4-10/h12H,3-7,10H2,1-2H3,(H,11,13).
What are the key properties of N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide?
N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide has a molecular weight of 188.27 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide is sourced from PubChem (CID 57198564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).