[3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol

C10H19NO3 — CID 79138729

IUPAC[3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol
SMILESNCC1(C(O)C2CCOC2)CCOC1
InChIInChI=1S/C10H19NO3/c11-6-10(2-4-14-7-10)9(12)8-1-3-13-5-8/h8-9,12H,1-7,11H2
InChIKeyUJGGBNSEAWOOOU-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.25
Rot. Bonds3

About [3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol

[3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol (PubChem CID 79138729) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name[3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol
PubChem CID79138729
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name[3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol
SMILESNCC1(C(O)C2CCOC2)CCOC1
InChIInChI=1S/C10H19NO3/c11-6-10(2-4-14-7-10)9(12)8-1-3-13-5-8/h8-9,12H,1-7,11H2
InChIKeyUJGGBNSEAWOOOU-UHFFFAOYSA-N
XLogP-0.25
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol
CID 79137884
(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol
CID 97035401
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol
CID 79138934
[1-(aminomethyl)-3-ethylcyclohexyl]-(oxolan-3-yl)methanol
CID 79137690
[1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol
CID 79138103
[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-3-yl)methanol
CID 79138848
[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol
CID 104576133
(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
CID 93046962
[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol
CID 79138758
[1-(aminomethyl)cyclopropyl]-cyclopropylmethanol
CID 102551238
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol
CID 79138453
[3-(aminomethyl)oxolan-3-yl]-phenylmethanol
CID 79134982

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol?
The IUPAC name of [3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol (CID 79138729) is [3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol.
What is the SMILES notation for [3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol?
The canonical SMILES for [3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol is NCC1(C(O)C2CCOC2)CCOC1.
What is the InChIKey of [3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol?
The InChIKey is UJGGBNSEAWOOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c11-6-10(2-4-14-7-10)9(12)8-1-3-13-5-8/h8-9,12H,1-7,11H2.
What are the key properties of [3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol?
[3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol has a molecular weight of 201.27 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol is sourced from PubChem (CID 79138729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).