4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride

C7H17ClN2O — CID 72942834

IUPAC4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride
SMILESCNC1(CN)CCOCC1.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-9-7(6-8)2-4-10-5-3-7;/h9H,2-6,8H2,1H3;1H
InChIKeyAYQQTBMSZMFQMT-UHFFFAOYSA-N
MW180.68 g/mol
LogP0.14
Rot. Bonds2

About 4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride

4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride (PubChem CID 72942834) has the molecular formula C7H17ClN2O and a molecular weight of 180.68 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride
PubChem CID72942834
Molecular FormulaC7H17ClN2O
Molecular Weight180.68 g/mol
Exact Mass180.10
IUPAC Name4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride
SMILESCNC1(CN)CCOCC1.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-9-7(6-8)2-4-10-5-3-7;/h9H,2-6,8H2,1H3;1H
InChIKeyAYQQTBMSZMFQMT-UHFFFAOYSA-N
XLogP0.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride (CID 72942834) is 4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride is CNC1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride?
The InChIKey is AYQQTBMSZMFQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.ClH/c1-9-7(6-8)2-4-10-5-3-7;/h9H,2-6,8H2,1H3;1H.
What are the key properties of 4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride?
4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride has a molecular weight of 180.68 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride is sourced from PubChem (CID 72942834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).