2-methylpropane-1,3-diamine

C4H12N2 — CID 14499052

IUPAC2-methylpropane-1,3-diamine
SMILESCC(CN)CN
InChIInChI=1S/C4H12N2/c1-4(2-5)3-6/h4H,2-3,5-6H2,1H3
InChIKeyBDXGMDGYOIWKIF-UHFFFAOYSA-N
MW88.15 g/mol
LogP-0.46
Rot. Bonds2

About 2-methylpropane-1,3-diamine

2-methylpropane-1,3-diamine (PubChem CID 14499052) has the molecular formula C4H12N2 and a molecular weight of 88.15 g/mol. Its IUPAC name is 2-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methylpropane-1,3-diamine
PubChem CID14499052
Molecular FormulaC4H12N2
Molecular Weight88.15 g/mol
Exact Mass88.10
IUPAC Name2-methylpropane-1,3-diamine
SMILESCC(CN)CN
InChIInChI=1S/C4H12N2/c1-4(2-5)3-6/h4H,2-3,5-6H2,1H3
InChIKeyBDXGMDGYOIWKIF-UHFFFAOYSA-N
XLogP-0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Isobutylamine
CID 6558
2,2-Dimethyl-1,3-propanediamine
CID 81770
Isobutylammonium
CID 3041751
1-Propanamine, 2-methyl-, conjugate acid
CID 7311734
1,3-Propanediamine, 2-(aminomethyl)-
CID 10313091
Isobutylamine Hydrochloride
CID 12206183
2-(Aminomethyl)-2-methyl-1,3-propanediamine
CID 4526530
Isobutylamine Hydrobromide
CID 85987475
Isobutylaminehydrochloride
CID 21133
2-Methylpropane-1,3-diamine dihydrochloride
CID 18961237
Isobutylamine Hydroiodide
CID 88371729
2-Methyl-1,4-diaminobutane
CID 193504

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1,3-diamine?
The IUPAC name of 2-methylpropane-1,3-diamine (CID 14499052) is 2-methylpropane-1,3-diamine.
What is the SMILES notation for 2-methylpropane-1,3-diamine?
The canonical SMILES for 2-methylpropane-1,3-diamine is CC(CN)CN.
What is the InChIKey of 2-methylpropane-1,3-diamine?
The InChIKey is BDXGMDGYOIWKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2/c1-4(2-5)3-6/h4H,2-3,5-6H2,1H3.
What are the key properties of 2-methylpropane-1,3-diamine?
2-methylpropane-1,3-diamine has a molecular weight of 88.15 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1,3-diamine is sourced from PubChem (CID 14499052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).