2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride

C5H18Cl3N3 — CID 53411811

IUPAC2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride
SMILESCC(CN)(CN)CN.Cl.Cl.Cl
InChIInChI=1S/C5H15N3.3ClH/c1-5(2-6,3-7)4-8;;;/h2-4,6-8H2,1H3;3*1H
InChIKeyGBKDQELEERCHSD-UHFFFAOYSA-N
MW226.58 g/mol
LogP0.13
Rot. Bonds3

About 2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride

2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride (PubChem CID 53411811) has the molecular formula C5H18Cl3N3 and a molecular weight of 226.58 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride
PubChem CID53411811
Molecular FormulaC5H18Cl3N3
Molecular Weight226.58 g/mol
Exact Mass225.06
IUPAC Name2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride
SMILESCC(CN)(CN)CN.Cl.Cl.Cl
InChIInChI=1S/C5H15N3.3ClH/c1-5(2-6,3-7)4-8;;;/h2-4,6-8H2,1H3;3*1H
InChIKeyGBKDQELEERCHSD-UHFFFAOYSA-N
XLogP0.13
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride?
The IUPAC name of 2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride (CID 53411811) is 2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride?
The canonical SMILES for 2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride is CC(CN)(CN)CN.Cl.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride?
The InChIKey is GBKDQELEERCHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3.3ClH/c1-5(2-6,3-7)4-8;;;/h2-4,6-8H2,1H3;3*1H.
What are the key properties of 2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride?
2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride has a molecular weight of 226.58 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride is sourced from PubChem (CID 53411811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).