1-(1-hydroxypropylamino)-2-methylpropan-1-ol

C7H17NO2 — CID 141048666

IUPAC1-(1-hydroxypropylamino)-2-methylpropan-1-ol
SMILESCCC(O)NC(O)C(C)C
InChIInChI=1S/C7H17NO2/c1-4-6(9)8-7(10)5(2)3/h5-10H,4H2,1-3H3
InChIKeyNRZSDQYVOAFTRE-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.28
Rot. Bonds4

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

1-(1-hydroxypropylamino)-2-methylpropan-1-ol (PubChem CID 141048666) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-(1-hydroxypropylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(1-hydroxypropylamino)-2-methylpropan-1-ol
PubChem CID141048666
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-(1-hydroxypropylamino)-2-methylpropan-1-ol
SMILESCCC(O)NC(O)C(C)C
InChIInChI=1S/C7H17NO2/c1-4-6(9)8-7(10)5(2)3/h5-10H,4H2,1-3H3
InChIKeyNRZSDQYVOAFTRE-UHFFFAOYSA-N
XLogP0.28
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(propan-2-ylamino)propan-1-ol
CID 20572331
2-[(1-hydroxy-2-methylpropyl)amino]butanoic acid
CID 88507731
2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride
CID 71342395
1-(1-propoxyethylamino)propan-1-ol
CID 174540244
1-[[(3R)-hexan-3-yl]amino]propan-1-ol
CID 163869071
(2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol
CID 153316647
magnesium;2-methylpentan-3-ol;dichloride
CID 175030591
1-(pentan-3-ylamino)ethanol
CID 18004281
1-hydroxypropyl(trimethyl)phosphanium
CID 175448863
2-methylbutane;3-methylbutan-2-ol
CID 87553210
3-methyl-1-(pentan-3-ylamino)butan-2-ol
CID 115720488
(3R,5S)-2-methylheptane-3,5-diol
CID 134975800

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropylamino)-2-methylpropan-1-ol?
The IUPAC name of 1-(1-hydroxypropylamino)-2-methylpropan-1-ol (CID 141048666) is 1-(1-hydroxypropylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(1-hydroxypropylamino)-2-methylpropan-1-ol?
The canonical SMILES for 1-(1-hydroxypropylamino)-2-methylpropan-1-ol is CCC(O)NC(O)C(C)C.
What is the InChIKey of 1-(1-hydroxypropylamino)-2-methylpropan-1-ol?
The InChIKey is NRZSDQYVOAFTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-4-6(9)8-7(10)5(2)3/h5-10H,4H2,1-3H3.
What are the key properties of 1-(1-hydroxypropylamino)-2-methylpropan-1-ol?
1-(1-hydroxypropylamino)-2-methylpropan-1-ol has a molecular weight of 147.22 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 141048666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).