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

C5H15N3 — CID 4526530

IUPAC2-(aminomethyl)-2-methylpropane-1,3-diamine
SMILESCC(CN)(CN)CN
InChIInChI=1S/C5H15N3/c1-5(2-6,3-7)4-8/h2-4,6-8H2,1H3
InChIKeyUGDSCHVVUPHIFM-UHFFFAOYSA-N
MW117.20 g/mol
LogP-1.13
Rot. Bonds3

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

2-(aminomethyl)-2-methylpropane-1,3-diamine (PubChem CID 4526530) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(aminomethyl)-2-methylpropane-1,3-diamine
PubChem CID4526530
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC Name2-(aminomethyl)-2-methylpropane-1,3-diamine
SMILESCC(CN)(CN)CN
InChIInChI=1S/C5H15N3/c1-5(2-6,3-7)4-8/h2-4,6-8H2,1H3
InChIKeyUGDSCHVVUPHIFM-UHFFFAOYSA-N
XLogP-1.13
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.20
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Neopentylamine
CID 79882
2,2-Dimethyl-1,3-propanediamine
CID 81770
2-Methyl-1,3-propanediamine
CID 14499052
2,2-Bis(aminomethyl)propane-1,3-diamine
CID 3017969
2,2-Dimethylpropane-1,3-diamine--hydrogen chloride (1/2)
CID 12351963
2,2-Dimethylpropan-1-amine hydrochloride
CID 12422960
1,1,1-Tris(aminomethyl)ethane trihydrochloride
CID 53411811
Neopentylamine Hydrobromide
CID 155859207
Neopentylamine Hydroiodide
CID 155859225
2,2-Dimethylpropane-1,1-diamine
CID 17905343
Trimethylethanaminium chloride
CID 87350865
2-Fluoro-2-methylpropane-1,3-diamine
CID 19902649

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methylpropane-1,3-diamine?
The IUPAC name of 2-(aminomethyl)-2-methylpropane-1,3-diamine (CID 4526530) is 2-(aminomethyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for 2-(aminomethyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for 2-(aminomethyl)-2-methylpropane-1,3-diamine is CC(CN)(CN)CN.
What is the InChIKey of 2-(aminomethyl)-2-methylpropane-1,3-diamine?
The InChIKey is UGDSCHVVUPHIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3/c1-5(2-6,3-7)4-8/h2-4,6-8H2,1H3.
What are the key properties of 2-(aminomethyl)-2-methylpropane-1,3-diamine?
2-(aminomethyl)-2-methylpropane-1,3-diamine has a molecular weight of 117.20 g/mol, XLogP of -1.13, 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 is sourced from PubChem (CID 4526530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).