3-(aminomethyl)oxolan-3-amine;dihydrochloride

C5H14Cl2N2O — CID 118166236

IUPAC3-(aminomethyl)oxolan-3-amine;dihydrochloride
SMILESCl.Cl.NCC1(N)CCOC1
InChIInChI=1S/C5H12N2O.2ClH/c6-3-5(7)1-2-8-4-5;;/h1-4,6-7H2;2*1H
InChIKeyFNVMMHBMBJARDX-UHFFFAOYSA-N
MW189.09 g/mol
LogP-0.09
Rot. Bonds1

About 3-(aminomethyl)oxolan-3-amine;dihydrochloride

3-(aminomethyl)oxolan-3-amine;dihydrochloride (PubChem CID 118166236) has the molecular formula C5H14Cl2N2O and a molecular weight of 189.09 g/mol. Its IUPAC name is 3-(aminomethyl)oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)oxolan-3-amine;dihydrochloride
PubChem CID118166236
Molecular FormulaC5H14Cl2N2O
Molecular Weight189.09 g/mol
Exact Mass188.05
IUPAC Name3-(aminomethyl)oxolan-3-amine;dihydrochloride
SMILESCl.Cl.NCC1(N)CCOC1
InChIInChI=1S/C5H12N2O.2ClH/c6-3-5(7)1-2-8-4-5;;/h1-4,6-7H2;2*1H
InChIKeyFNVMMHBMBJARDX-UHFFFAOYSA-N
XLogP-0.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.09
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)oxolan-3-amine;dihydrochloride?
The IUPAC name of 3-(aminomethyl)oxolan-3-amine;dihydrochloride (CID 118166236) is 3-(aminomethyl)oxolan-3-amine;dihydrochloride.
What is the SMILES notation for 3-(aminomethyl)oxolan-3-amine;dihydrochloride?
The canonical SMILES for 3-(aminomethyl)oxolan-3-amine;dihydrochloride is Cl.Cl.NCC1(N)CCOC1.
What is the InChIKey of 3-(aminomethyl)oxolan-3-amine;dihydrochloride?
The InChIKey is FNVMMHBMBJARDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.2ClH/c6-3-5(7)1-2-8-4-5;;/h1-4,6-7H2;2*1H.
What are the key properties of 3-(aminomethyl)oxolan-3-amine;dihydrochloride?
3-(aminomethyl)oxolan-3-amine;dihydrochloride has a molecular weight of 189.09 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 118166236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).