[3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol

C10H20N2O2 — CID 63333605

IUPAC[3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol
SMILESOCC1(N2CCCNCC2)CCOC1
InChIInChI=1S/C10H20N2O2/c13-8-10(2-7-14-9-10)12-5-1-3-11-4-6-12/h11,13H,1-9H2
InChIKeyHVYJFRKSWYJYST-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.57
Rot. Bonds2

About [3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol

[3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol (PubChem CID 63333605) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol
PubChem CID63333605
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name[3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol
SMILESOCC1(N2CCCNCC2)CCOC1
InChIInChI=1S/C10H20N2O2/c13-8-10(2-7-14-9-10)12-5-1-3-11-4-6-12/h11,13H,1-9H2
InChIKeyHVYJFRKSWYJYST-UHFFFAOYSA-N
XLogP-0.57
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol?
The IUPAC name of [3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol (CID 63333605) is [3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol.
What is the SMILES notation for [3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol?
The canonical SMILES for [3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol is OCC1(N2CCCNCC2)CCOC1.
What is the InChIKey of [3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol?
The InChIKey is HVYJFRKSWYJYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-8-10(2-7-14-9-10)12-5-1-3-11-4-6-12/h11,13H,1-9H2.
What are the key properties of [3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol?
[3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol has a molecular weight of 200.28 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol is sourced from PubChem (CID 63333605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).