5-(4-hydroxypentylamino)pentan-2-ol

C10H23NO2 — CID 141381726

IUPAC5-(4-hydroxypentylamino)pentan-2-ol
SMILESCC(O)CCCNCCCC(C)O
InChIInChI=1S/C10H23NO2/c1-9(12)5-3-7-11-8-4-6-10(2)13/h9-13H,3-8H2,1-2H3
InChIKeyIYDHYQCHJCFTSV-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.90
Rot. Bonds8

About 5-(4-hydroxypentylamino)pentan-2-ol

5-(4-hydroxypentylamino)pentan-2-ol (PubChem CID 141381726) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-(4-hydroxypentylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(4-hydroxypentylamino)pentan-2-ol
PubChem CID141381726
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name5-(4-hydroxypentylamino)pentan-2-ol
SMILESCC(O)CCCNCCCC(C)O
InChIInChI=1S/C10H23NO2/c1-9(12)5-3-7-11-8-4-6-10(2)13/h9-13H,3-8H2,1-2H3
InChIKeyIYDHYQCHJCFTSV-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.90
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

5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822
5-(4-methoxybutylamino)pentan-2-ol
CID 106131000
5-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106130922
5-(prop-2-ynylamino)pentan-2-ol
CID 106122641
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
CID 106122501
5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol
CID 106130932
5-(prop-2-enylamino)pentan-2-ol
CID 55286599
5-(2-methylbutylamino)pentan-2-ol
CID 107267802
5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
5-(3-hydroxybutan-2-ylamino)pentan-2-ol
CID 106130571
N-ethyl-2-(4-hydroxypentylamino)acetamide
CID 106131847

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxypentylamino)pentan-2-ol?
The IUPAC name of 5-(4-hydroxypentylamino)pentan-2-ol (CID 141381726) is 5-(4-hydroxypentylamino)pentan-2-ol.
What is the SMILES notation for 5-(4-hydroxypentylamino)pentan-2-ol?
The canonical SMILES for 5-(4-hydroxypentylamino)pentan-2-ol is CC(O)CCCNCCCC(C)O.
What is the InChIKey of 5-(4-hydroxypentylamino)pentan-2-ol?
The InChIKey is IYDHYQCHJCFTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-9(12)5-3-7-11-8-4-6-10(2)13/h9-13H,3-8H2,1-2H3.
What are the key properties of 5-(4-hydroxypentylamino)pentan-2-ol?
5-(4-hydroxypentylamino)pentan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypentylamino)pentan-2-ol is sourced from PubChem (CID 141381726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).