4-[(propan-2-ylamino)methyl]oxolan-3-ol

C8H17NO2 — CID 170792752

IUPAC4-[(propan-2-ylamino)methyl]oxolan-3-ol
SMILESCC(C)NCC1COCC1O
InChIInChI=1S/C8H17NO2/c1-6(2)9-3-7-4-11-5-8(7)10/h6-10H,3-5H2,1-2H3
InChIKeyWKBUFFISAFWCAY-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.01
Rot. Bonds3

About 4-[(propan-2-ylamino)methyl]oxolan-3-ol

4-[(propan-2-ylamino)methyl]oxolan-3-ol (PubChem CID 170792752) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-[(propan-2-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name4-[(propan-2-ylamino)methyl]oxolan-3-ol
PubChem CID170792752
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-[(propan-2-ylamino)methyl]oxolan-3-ol
SMILESCC(C)NCC1COCC1O
InChIInChI=1S/C8H17NO2/c1-6(2)9-3-7-4-11-5-8(7)10/h6-10H,3-5H2,1-2H3
InChIKeyWKBUFFISAFWCAY-UHFFFAOYSA-N
XLogP-0.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
(2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol
CID 170289565
(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
CID 93383484
(1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol
CID 137448967
N-[[2-(oxan-3-yl)cyclopentyl]methyl]propan-2-amine
CID 107138114
N-[(2-ethylcyclopentyl)methyl]propan-2-amine
CID 58787055
4-[(dicyclopropylmethylamino)methyl]-N-methyloxolan-3-amine
CID 66247755
N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine
CID 118618598
4-butan-2-yloxolan-3-ol
CID 147418216
methyl 3-methylbutanoate;oxolane-3,4-diol
CID 157040371
1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone
CID 89340601
4-[[(1R)-1-cyclopentylethyl]amino]oxolan-3-ol
CID 81394183

Frequently Asked Questions

What is the IUPAC name of 4-[(propan-2-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 4-[(propan-2-ylamino)methyl]oxolan-3-ol (CID 170792752) is 4-[(propan-2-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 4-[(propan-2-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 4-[(propan-2-ylamino)methyl]oxolan-3-ol is CC(C)NCC1COCC1O.
What is the InChIKey of 4-[(propan-2-ylamino)methyl]oxolan-3-ol?
The InChIKey is WKBUFFISAFWCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)9-3-7-4-11-5-8(7)10/h6-10H,3-5H2,1-2H3.
What are the key properties of 4-[(propan-2-ylamino)methyl]oxolan-3-ol?
4-[(propan-2-ylamino)methyl]oxolan-3-ol has a molecular weight of 159.23 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(propan-2-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 170792752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).