(2S)-1-N-methylpropane-1,2-diamine

C4H12N2 — CID 54434545

IUPAC(2S)-1-N-methylpropane-1,2-diamine
SMILESCNC[C@H](C)N
InChIInChI=1S/C4H12N2/c1-4(5)3-6-2/h4,6H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyWJVAPEMLIPHCJB-BYPYZUCNSA-N
MW88.15 g/mol
LogP-0.45
Rot. Bonds2

About (2S)-1-N-methylpropane-1,2-diamine

(2S)-1-N-methylpropane-1,2-diamine (PubChem CID 54434545) has the molecular formula C4H12N2 and a molecular weight of 88.15 g/mol. Its IUPAC name is (2S)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-methylpropane-1,2-diamine
PubChem CID54434545
Molecular FormulaC4H12N2
Molecular Weight88.15 g/mol
Exact Mass88.10
IUPAC Name(2S)-1-N-methylpropane-1,2-diamine
SMILESCNC[C@H](C)N
InChIInChI=1S/C4H12N2/c1-4(5)3-6-2/h4,6H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyWJVAPEMLIPHCJB-BYPYZUCNSA-N
XLogP-0.45
TPSA38.05 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 ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-methylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N-methylpropane-1,2-diamine (CID 54434545) is (2S)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N-methylpropane-1,2-diamine is CNC[C@H](C)N.
What is the InChIKey of (2S)-1-N-methylpropane-1,2-diamine?
The InChIKey is WJVAPEMLIPHCJB-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H12N2/c1-4(5)3-6-2/h4,6H,3,5H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-1-N-methylpropane-1,2-diamine?
(2S)-1-N-methylpropane-1,2-diamine has a molecular weight of 88.15 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 54434545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).