N-(1,3-dioxan-4-ylmethyl)oxolan-3-amine

C9H17NO3 — CID 81094875

IUPACN-(1,3-dioxan-4-ylmethyl)oxolan-3-amine
SMILESC1CC(CNC2CCOC2)OCO1
InChIInChI=1S/C9H17NO3/c1-3-11-6-8(1)10-5-9-2-4-12-7-13-9/h8-10H,1-7H2
InChIKeyYJRHXZMHOHIZPH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.13
Rot. Bonds3

About N-(1,3-dioxan-4-ylmethyl)oxolan-3-amine

N-(1,3-dioxan-4-ylmethyl)oxolan-3-amine (PubChem CID 81094875) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)oxolan-3-amine
PubChem CID81094875
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-(1,3-dioxan-4-ylmethyl)oxolan-3-amine
SMILESC1CC(CNC2CCOC2)OCO1
InChIInChI=1S/C9H17NO3/c1-3-11-6-8(1)10-5-9-2-4-12-7-13-9/h8-10H,1-7H2
InChIKeyYJRHXZMHOHIZPH-UHFFFAOYSA-N
XLogP0.13
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)oxolan-3-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)oxolan-3-amine (CID 81094875) is N-(1,3-dioxan-4-ylmethyl)oxolan-3-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)oxolan-3-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)oxolan-3-amine is C1CC(CNC2CCOC2)OCO1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)oxolan-3-amine?
The InChIKey is YJRHXZMHOHIZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-11-6-8(1)10-5-9-2-4-12-7-13-9/h8-10H,1-7H2.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)oxolan-3-amine?
N-(1,3-dioxan-4-ylmethyl)oxolan-3-amine has a molecular weight of 187.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 81094875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).