2-(2-hydroxypropylamino)pentan-1-ol

C8H19NO2 — CID 126754645

IUPAC2-(2-hydroxypropylamino)pentan-1-ol
SMILESCCCC(CO)NCC(C)O
InChIInChI=1S/C8H19NO2/c1-3-4-8(6-10)9-5-7(2)11/h7-11H,3-6H2,1-2H3
InChIKeyUSTBRUYJAWODQB-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.12
Rot. Bonds6

About 2-(2-hydroxypropylamino)pentan-1-ol

2-(2-hydroxypropylamino)pentan-1-ol (PubChem CID 126754645) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-(2-hydroxypropylamino)pentan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxypropylamino)pentan-1-ol
PubChem CID126754645
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2-(2-hydroxypropylamino)pentan-1-ol
SMILESCCCC(CO)NCC(C)O
InChIInChI=1S/C8H19NO2/c1-3-4-8(6-10)9-5-7(2)11/h7-11H,3-6H2,1-2H3
InChIKeyUSTBRUYJAWODQB-UHFFFAOYSA-N
XLogP0.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxypropylamino)octan-1-ol
CID 86053994
1-(octan-4-ylamino)propan-2-ol
CID 103775311
1-(hept-1-en-4-ylamino)propan-2-ol
CID 4712407
2-(2-methylpentylamino)propane-1,3-diol
CID 65315712
(2R)-1-(nonadecan-10-ylamino)propan-2-ol
CID 98515290
2-(2-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190268
4-methyl-2-(2-methylpentylamino)pentan-1-ol
CID 61245377
(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol
CID 55298734
3-(1-methoxypentan-2-ylamino)propane-1,2-diol
CID 77035883
2-(2-methylbutylamino)propane-1,3-diol
CID 65312864
2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 106932287
2-(hexylamino)pentan-1-ol
CID 155661034

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropylamino)pentan-1-ol?
The IUPAC name of 2-(2-hydroxypropylamino)pentan-1-ol (CID 126754645) is 2-(2-hydroxypropylamino)pentan-1-ol.
What is the SMILES notation for 2-(2-hydroxypropylamino)pentan-1-ol?
The canonical SMILES for 2-(2-hydroxypropylamino)pentan-1-ol is CCCC(CO)NCC(C)O.
What is the InChIKey of 2-(2-hydroxypropylamino)pentan-1-ol?
The InChIKey is USTBRUYJAWODQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-3-4-8(6-10)9-5-7(2)11/h7-11H,3-6H2,1-2H3.
What are the key properties of 2-(2-hydroxypropylamino)pentan-1-ol?
2-(2-hydroxypropylamino)pentan-1-ol has a molecular weight of 161.25 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropylamino)pentan-1-ol is sourced from PubChem (CID 126754645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).