3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol

C10H19NO3 — CID 79135319

IUPAC3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
SMILESNCC1(C2(O)CCOC2)CCOCC1
InChIInChI=1S/C10H19NO3/c11-7-9(1-4-13-5-2-9)10(12)3-6-14-8-10/h12H,1-8,11H2
InChIKeyVUMXSNAZWULXAP-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.11
Rot. Bonds2

About 3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol

3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol (PubChem CID 79135319) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol.

Molecular Properties

Compound Name3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
PubChem CID79135319
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
SMILESNCC1(C2(O)CCOC2)CCOCC1
InChIInChI=1S/C10H19NO3/c11-7-9(1-4-13-5-2-9)10(12)3-6-14-8-10/h12H,1-8,11H2
InChIKeyVUMXSNAZWULXAP-UHFFFAOYSA-N
XLogP-0.11
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
CID 79125192
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol
CID 79135407
1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
CID 79124414
8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79124643
3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
CID 79135585
1-[3-(aminomethyl)oxolan-3-yl]-2,2-dimethylcyclohexan-1-ol
CID 79852618
1-[4-(aminomethyl)oxan-4-yl]-2,2-dimethylcyclopentan-1-ol
CID 79863221
4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol
CID 79125186
4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
CID 79135491
(3S)-3-(aminomethyl)oxolan-3-ol
CID 95305956

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol?
The IUPAC name of 3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol (CID 79135319) is 3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol.
What is the SMILES notation for 3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol?
The canonical SMILES for 3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol is NCC1(C2(O)CCOC2)CCOCC1.
What is the InChIKey of 3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol?
The InChIKey is VUMXSNAZWULXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c11-7-9(1-4-13-5-2-9)10(12)3-6-14-8-10/h12H,1-8,11H2.
What are the key properties of 3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol?
3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol has a molecular weight of 201.27 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol is sourced from PubChem (CID 79135319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).