(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol

C7H17NO2 — CID 126974823

IUPAC(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
SMILESC[C@@H](O)CN(C)CCCO
InChIInChI=1S/C7H17NO2/c1-7(10)6-8(2)4-3-5-9/h7,9-10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyWMRLEECWAKIZQS-SSDOTTSWSA-N
MW147.22 g/mol
LogP-0.32
Rot. Bonds5

About (2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol

(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol (PubChem CID 126974823) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
PubChem CID126974823
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
SMILESC[C@@H](O)CN(C)CCCO
InChIInChI=1S/C7H17NO2/c1-7(10)6-8(2)4-3-5-9/h7,9-10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyWMRLEECWAKIZQS-SSDOTTSWSA-N
XLogP-0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
CID 127002194
1-[4-chlorobutyl(methyl)amino]propan-2-ol
CID 62337748
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol
CID 115665602
1-[methyl(4-methylpent-4-enyl)amino]propan-2-ol
CID 138548396
N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol
CID 169214639
5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
12-[2-hydroxypropyl(methyl)amino]dodecanoic acid
CID 88635021
5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol
CID 107203582
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol (CID 126974823) is (2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol is C[C@@H](O)CN(C)CCCO.
What is the InChIKey of (2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol?
The InChIKey is WMRLEECWAKIZQS-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17NO2/c1-7(10)6-8(2)4-3-5-9/h7,9-10H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol?
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol has a molecular weight of 147.22 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 126974823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).