3-(5-hydroxypentylamino)propanamide

C8H18N2O2 — CID 62227149

IUPAC3-(5-hydroxypentylamino)propanamide
SMILESNC(=O)CCNCCCCCO
InChIInChI=1S/C8H18N2O2/c9-8(12)4-6-10-5-2-1-3-7-11/h10-11H,1-7H2,(H2,9,12)
InChIKeyHNHAYSGXMJPPQR-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.39
Rot. Bonds8

About 3-(5-hydroxypentylamino)propanamide

3-(5-hydroxypentylamino)propanamide (PubChem CID 62227149) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-(5-hydroxypentylamino)propanamide.

Molecular Properties

Compound Name3-(5-hydroxypentylamino)propanamide
PubChem CID62227149
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-(5-hydroxypentylamino)propanamide
SMILESNC(=O)CCNCCCCCO
InChIInChI=1S/C8H18N2O2/c9-8(12)4-6-10-5-2-1-3-7-11/h10-11H,1-7H2,(H2,9,12)
InChIKeyHNHAYSGXMJPPQR-UHFFFAOYSA-N
XLogP-0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.39
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

2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide
CID 175210983
6-hydroxyhexanamide
CID 11815390
18-hydroxyoctadecanamide
CID 54261687
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
2-(6-hydroxyhexylamino)ethylurea
CID 107703572
3-(hept-6-enylamino)propanamide
CID 107006585
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
4-[4-(tetradecylamino)butylamino]butanamide
CID 175024979
12-(hexylamino)dodecanamide
CID 174861179
6-(decylamino)hexanamide
CID 13292350
3-(hex-5-ynylamino)propanamide
CID 106211456

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentylamino)propanamide?
The IUPAC name of 3-(5-hydroxypentylamino)propanamide (CID 62227149) is 3-(5-hydroxypentylamino)propanamide.
What is the SMILES notation for 3-(5-hydroxypentylamino)propanamide?
The canonical SMILES for 3-(5-hydroxypentylamino)propanamide is NC(=O)CCNCCCCCO.
What is the InChIKey of 3-(5-hydroxypentylamino)propanamide?
The InChIKey is HNHAYSGXMJPPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c9-8(12)4-6-10-5-2-1-3-7-11/h10-11H,1-7H2,(H2,9,12).
What are the key properties of 3-(5-hydroxypentylamino)propanamide?
3-(5-hydroxypentylamino)propanamide has a molecular weight of 174.24 g/mol, XLogP of -0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentylamino)propanamide is sourced from PubChem (CID 62227149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).