3-amino-N-(4-hydroxypentyl)-2-methylpropanamide

C9H20N2O2 — CID 106134399

IUPAC3-amino-N-(4-hydroxypentyl)-2-methylpropanamide
SMILESCC(O)CCCNC(=O)C(C)CN
InChIInChI=1S/C9H20N2O2/c1-7(6-10)9(13)11-5-3-4-8(2)12/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyXXWLSRHYRRRWHR-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.14
Rot. Bonds6

About 3-amino-N-(4-hydroxypentyl)-2-methylpropanamide

3-amino-N-(4-hydroxypentyl)-2-methylpropanamide (PubChem CID 106134399) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxypentyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxypentyl)-2-methylpropanamide
PubChem CID106134399
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-amino-N-(4-hydroxypentyl)-2-methylpropanamide
SMILESCC(O)CCCNC(=O)C(C)CN
InChIInChI=1S/C9H20N2O2/c1-7(6-10)9(13)11-5-3-4-8(2)12/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyXXWLSRHYRRRWHR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
3-amino-N-(2-hydroxyethyl)-2-methylpropanamide
CID 54555473
3-amino-2-methyl-N-pent-4-ynylpropanamide
CID 106221793
4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 106120319
N-(4-hydroxypentyl)propanamide
CID 107299540
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 55104284
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
CID 106235091
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
CID 168915503
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide
CID 107299932

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxypentyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(4-hydroxypentyl)-2-methylpropanamide (CID 106134399) is 3-amino-N-(4-hydroxypentyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(4-hydroxypentyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(4-hydroxypentyl)-2-methylpropanamide is CC(O)CCCNC(=O)C(C)CN.
What is the InChIKey of 3-amino-N-(4-hydroxypentyl)-2-methylpropanamide?
The InChIKey is XXWLSRHYRRRWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(6-10)9(13)11-5-3-4-8(2)12/h7-8,12H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 3-amino-N-(4-hydroxypentyl)-2-methylpropanamide?
3-amino-N-(4-hydroxypentyl)-2-methylpropanamide 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 3-amino-N-(4-hydroxypentyl)-2-methylpropanamide is sourced from PubChem (CID 106134399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).