2-methylpropane-1,2-diamine

C4H12N2 — CID 13128

IUPAC2-methylpropane-1,2-diamine
SMILESCC(C)(N)CN
InChIInChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
InChIKeyOPCJOXGBLDJWRM-UHFFFAOYSA-N
MW88.15 g/mol
LogP-0.32
Rot. Bonds1

About 2-methylpropane-1,2-diamine

2-methylpropane-1,2-diamine (PubChem CID 13128) has the molecular formula C4H12N2 and a molecular weight of 88.15 g/mol. Its IUPAC name is 2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-methylpropane-1,2-diamine
PubChem CID13128
Molecular FormulaC4H12N2
Molecular Weight88.15 g/mol
Exact Mass88.10
IUPAC Name2-methylpropane-1,2-diamine
SMILESCC(C)(N)CN
InChIInChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
InChIKeyOPCJOXGBLDJWRM-UHFFFAOYSA-N
XLogP-0.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Butanediamine
CID 136362
2-Methylbutane-1,2-diamine
CID 22666853
2-Methylpropane-1,2-diamine dihydrochloride
CID 12246157
(1-Amino-2-methylpropan-2-yl)(methyl)amine
CID 12665984
2,3-Butanediamine, (+)-
CID 7021489
2,3-Butanediamine, (-)-
CID 7332379
rel-(2R,3S)-2,3-Butanediamine
CID 12306169
2-Methylbutane-2,3-diamine
CID 14251537
2-Methylpropane-1,2-diamine--hydrogen iodide (1/2)
CID 24820208
2-Amino-2-ethyl-1,3-propanediamine
CID 22619061
Tris(aminomethyl)aminomethane
CID 55290717
(2R)-3,3,3-trifluoro-2-methylpropane-1,2-diamine
CID 16081884

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1,2-diamine?
The IUPAC name of 2-methylpropane-1,2-diamine (CID 13128) is 2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-methylpropane-1,2-diamine?
The canonical SMILES for 2-methylpropane-1,2-diamine is CC(C)(N)CN.
What is the InChIKey of 2-methylpropane-1,2-diamine?
The InChIKey is OPCJOXGBLDJWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3.
What are the key properties of 2-methylpropane-1,2-diamine?
2-methylpropane-1,2-diamine has a molecular weight of 88.15 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1,2-diamine is sourced from PubChem (CID 13128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).