3-azaniumylpropylazanium

C3H12N2+2 — CID 4030255

IUPAC3-azaniumylpropylazanium
SMILES[NH3+]CCC[NH3+]
InChIInChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2/p+2
InChIKeyXFNJVJPLKCPIBV-UHFFFAOYSA-P
MW76.14 g/mol
LogP-2.14
Rot. Bonds2

About 3-azaniumylpropylazanium

3-azaniumylpropylazanium (PubChem CID 4030255) has the molecular formula C3H12N2+2 and a molecular weight of 76.14 g/mol. Its IUPAC name is 3-azaniumylpropylazanium.

Molecular Properties

Compound Name3-azaniumylpropylazanium
PubChem CID4030255
Molecular FormulaC3H12N2+2
Molecular Weight76.14 g/mol
Exact Mass76.10
IUPAC Name3-azaniumylpropylazanium
SMILES[NH3+]CCC[NH3+]
InChIInChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2/p+2
InChIKeyXFNJVJPLKCPIBV-UHFFFAOYSA-P
XLogP-2.14
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.14
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 428
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CID 165887
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CID 14954072
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CID 432418
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CID 10313091
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CID 129655464
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CID 150110
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CID 147594
CID 147594
CID 10582739
CID 10582739

Frequently Asked Questions

What is the IUPAC name of 3-azaniumylpropylazanium?
The IUPAC name of 3-azaniumylpropylazanium (CID 4030255) is 3-azaniumylpropylazanium.
What is the SMILES notation for 3-azaniumylpropylazanium?
The canonical SMILES for 3-azaniumylpropylazanium is [NH3+]CCC[NH3+].
What is the InChIKey of 3-azaniumylpropylazanium?
The InChIKey is XFNJVJPLKCPIBV-UHFFFAOYSA-P. The full InChI is InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2/p+2.
What are the key properties of 3-azaniumylpropylazanium?
3-azaniumylpropylazanium has a molecular weight of 76.14 g/mol, XLogP of -2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaniumylpropylazanium is sourced from PubChem (CID 4030255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).