4-(aminomethyl)oxan-4-amine;hydrochloride

C6H15ClN2O — CID 118166304

IUPAC4-(aminomethyl)oxan-4-amine;hydrochloride
SMILESCl.NCC1(N)CCOCC1
InChIInChI=1S/C6H14N2O.ClH/c7-5-6(8)1-3-9-4-2-6;/h1-5,7-8H2;1H
InChIKeyNKEJYCYKTPYXQI-UHFFFAOYSA-N
MW166.65 g/mol
LogP-0.13
Rot. Bonds1

About 4-(aminomethyl)oxan-4-amine;hydrochloride

4-(aminomethyl)oxan-4-amine;hydrochloride (PubChem CID 118166304) has the molecular formula C6H15ClN2O and a molecular weight of 166.65 g/mol. Its IUPAC name is 4-(aminomethyl)oxan-4-amine;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)oxan-4-amine;hydrochloride
PubChem CID118166304
Molecular FormulaC6H15ClN2O
Molecular Weight166.65 g/mol
Exact Mass166.09
IUPAC Name4-(aminomethyl)oxan-4-amine;hydrochloride
SMILESCl.NCC1(N)CCOCC1
InChIInChI=1S/C6H14N2O.ClH/c7-5-6(8)1-3-9-4-2-6;/h1-5,7-8H2;1H
InChIKeyNKEJYCYKTPYXQI-UHFFFAOYSA-N
XLogP-0.13
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)oxan-4-amine;hydrochloride?
The IUPAC name of 4-(aminomethyl)oxan-4-amine;hydrochloride (CID 118166304) is 4-(aminomethyl)oxan-4-amine;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)oxan-4-amine;hydrochloride?
The canonical SMILES for 4-(aminomethyl)oxan-4-amine;hydrochloride is Cl.NCC1(N)CCOCC1.
What is the InChIKey of 4-(aminomethyl)oxan-4-amine;hydrochloride?
The InChIKey is NKEJYCYKTPYXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.ClH/c7-5-6(8)1-3-9-4-2-6;/h1-5,7-8H2;1H.
What are the key properties of 4-(aminomethyl)oxan-4-amine;hydrochloride?
4-(aminomethyl)oxan-4-amine;hydrochloride has a molecular weight of 166.65 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)oxan-4-amine;hydrochloride is sourced from PubChem (CID 118166304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).