(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol

C9H19NO2 — CID 103935026

IUPAC(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
SMILESC[C@H](O)CN(C)CC1CCCO1
InChIInChI=1S/C9H19NO2/c1-8(11)6-10(2)7-9-4-3-5-12-9/h8-9,11H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyABXCWBBYUUBPSZ-IENPIDJESA-N
MW173.26 g/mol
LogP0.48
Rot. Bonds4

About (2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol

(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol (PubChem CID 103935026) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
PubChem CID103935026
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
SMILESC[C@H](O)CN(C)CC1CCCO1
InChIInChI=1S/C9H19NO2/c1-8(11)6-10(2)7-9-4-3-5-12-9/h8-9,11H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyABXCWBBYUUBPSZ-IENPIDJESA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 61431841
1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 61431541
1-cyclohexyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745207
1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 79039900
1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol
CID 64820238
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62613157
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62708323
1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol
CID 61431345
3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid
CID 80997298
2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 65015785

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol (CID 103935026) is (2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol is C[C@H](O)CN(C)CC1CCCO1.
What is the InChIKey of (2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol?
The InChIKey is ABXCWBBYUUBPSZ-IENPIDJESA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(11)6-10(2)7-9-4-3-5-12-9/h8-9,11H,3-7H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol?
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 103935026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).