(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol

C9H19NO2 — CID 104980595

IUPAC(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
SMILESCC[C@@H](CO)NCC1CCCO1
InChIInChI=1S/C9H19NO2/c1-2-8(7-11)10-6-9-4-3-5-12-9/h8-11H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyKDYCEBSBMSTXTD-IENPIDJESA-N
MW173.26 g/mol
LogP0.53
Rot. Bonds5

About (2S)-2-(oxolan-2-ylmethylamino)butan-1-ol

(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol (PubChem CID 104980595) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2-(oxolan-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
PubChem CID104980595
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
SMILESCC[C@@H](CO)NCC1CCCO1
InChIInChI=1S/C9H19NO2/c1-2-8(7-11)10-6-9-4-3-5-12-9/h8-11H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyKDYCEBSBMSTXTD-IENPIDJESA-N
XLogP0.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-2-ylmethylamino)propane-1,3-diol
CID 65314164
N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide
CID 3156691
N'-[(2R)-1-hydroxybutan-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7242422
N-(oxan-2-ylmethyl)heptan-3-amine
CID 63946719
2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
CID 115705336
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305
(2S)-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 30030430
4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83819615
3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
1,1-bis(oxolan-2-ylmethylamino)propan-2-ol
CID 90119922
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxolan-2-ylmethylamino)butan-1-ol?
The IUPAC name of (2S)-2-(oxolan-2-ylmethylamino)butan-1-ol (CID 104980595) is (2S)-2-(oxolan-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for (2S)-2-(oxolan-2-ylmethylamino)butan-1-ol?
The canonical SMILES for (2S)-2-(oxolan-2-ylmethylamino)butan-1-ol is CC[C@@H](CO)NCC1CCCO1.
What is the InChIKey of (2S)-2-(oxolan-2-ylmethylamino)butan-1-ol?
The InChIKey is KDYCEBSBMSTXTD-IENPIDJESA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-8(7-11)10-6-9-4-3-5-12-9/h8-11H,2-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of (2S)-2-(oxolan-2-ylmethylamino)butan-1-ol?
(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oxolan-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 104980595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).