(2S)-propane-1,2-diamine

C3H10N2 — CID 642322

IUPAC(2S)-propane-1,2-diamine
SMILESC[C@H](N)CN
InChIInChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3/t3-/m0/s1
InChIKeyAOHJOMMDDJHIJH-VKHMYHEASA-N
MW74.13 g/mol
LogP-0.71
Rot. Bonds1

About (2S)-propane-1,2-diamine

(2S)-propane-1,2-diamine (PubChem CID 642322) has the molecular formula C3H10N2 and a molecular weight of 74.13 g/mol. Its IUPAC name is (2S)-propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-propane-1,2-diamine
PubChem CID642322
Molecular FormulaC3H10N2
Molecular Weight74.13 g/mol
Exact Mass74.08
IUPAC Name(2S)-propane-1,2-diamine
SMILESC[C@H](N)CN
InChIInChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3/t3-/m0/s1
InChIKeyAOHJOMMDDJHIJH-VKHMYHEASA-N
XLogP-0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87255476
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propane-1,2-diamine;prop-1-ene
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CID 173365109
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CID 18314368
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CID 87997033
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Frequently Asked Questions

What is the IUPAC name of (2S)-propane-1,2-diamine?
The IUPAC name of (2S)-propane-1,2-diamine (CID 642322) is (2S)-propane-1,2-diamine.
What is the SMILES notation for (2S)-propane-1,2-diamine?
The canonical SMILES for (2S)-propane-1,2-diamine is C[C@H](N)CN.
What is the InChIKey of (2S)-propane-1,2-diamine?
The InChIKey is AOHJOMMDDJHIJH-VKHMYHEASA-N. The full InChI is InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-propane-1,2-diamine?
(2S)-propane-1,2-diamine has a molecular weight of 74.13 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-propane-1,2-diamine is sourced from PubChem (CID 642322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).