5-(3-hydroxybutan-2-ylamino)pentan-2-ol

C9H21NO2 — CID 106130571

IUPAC5-(3-hydroxybutan-2-ylamino)pentan-2-ol
SMILESCC(O)CCCNC(C)C(C)O
InChIInChI=1S/C9H21NO2/c1-7(11)5-4-6-10-8(2)9(3)12/h7-12H,4-6H2,1-3H3
InChIKeyJNWRTOJHBWCQBF-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.51
Rot. Bonds6

About 5-(3-hydroxybutan-2-ylamino)pentan-2-ol

5-(3-hydroxybutan-2-ylamino)pentan-2-ol (PubChem CID 106130571) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 5-(3-hydroxybutan-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(3-hydroxybutan-2-ylamino)pentan-2-ol
PubChem CID106130571
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name5-(3-hydroxybutan-2-ylamino)pentan-2-ol
SMILESCC(O)CCCNC(C)C(C)O
InChIInChI=1S/C9H21NO2/c1-7(11)5-4-6-10-8(2)9(3)12/h7-12H,4-6H2,1-3H3
InChIKeyJNWRTOJHBWCQBF-UHFFFAOYSA-N
XLogP0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.51
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-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
5-(pentan-2-ylamino)pentan-2-ol
CID 107270408
5-(dicyclopropylmethylamino)pentan-2-ol
CID 107270439
3-(3-butoxypropylamino)butan-2-ol
CID 115687601
5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 107270412
5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822
4-(1,1-difluoropropan-2-ylamino)butan-2-ol
CID 102869648
5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol
CID 103110031
5-[1-(4-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 114146378
5-(prop-2-ynylamino)pentan-2-ol
CID 106122641
2-(3-hydroxybutan-2-ylamino)ethanesulfonic acid
CID 54222396
(2S)-3-methyl-6-(methylamino)hexan-2-ol
CID 172612880

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxybutan-2-ylamino)pentan-2-ol?
The IUPAC name of 5-(3-hydroxybutan-2-ylamino)pentan-2-ol (CID 106130571) is 5-(3-hydroxybutan-2-ylamino)pentan-2-ol.
What is the SMILES notation for 5-(3-hydroxybutan-2-ylamino)pentan-2-ol?
The canonical SMILES for 5-(3-hydroxybutan-2-ylamino)pentan-2-ol is CC(O)CCCNC(C)C(C)O.
What is the InChIKey of 5-(3-hydroxybutan-2-ylamino)pentan-2-ol?
The InChIKey is JNWRTOJHBWCQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-7(11)5-4-6-10-8(2)9(3)12/h7-12H,4-6H2,1-3H3.
What are the key properties of 5-(3-hydroxybutan-2-ylamino)pentan-2-ol?
5-(3-hydroxybutan-2-ylamino)pentan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxybutan-2-ylamino)pentan-2-ol is sourced from PubChem (CID 106130571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).