methanediamine;propane

C7H22N2 — CID 157068020

IUPACmethanediamine;propane
SMILESCCC.CCC.NCN
InChIInChI=1S/2C3H8.CH6N2/c2*1-3-2;2-1-3/h2*3H2,1-2H3;1-3H2
InChIKeyACCIHKZGPFUJSW-UHFFFAOYSA-N
MW134.27 g/mol
LogP1.69
Rot. Bonds

About methanediamine;propane

methanediamine;propane (PubChem CID 157068020) has the molecular formula C7H22N2 and a molecular weight of 134.27 g/mol. Its IUPAC name is methanediamine;propane.

Molecular Properties

Compound Namemethanediamine;propane
PubChem CID157068020
Molecular FormulaC7H22N2
Molecular Weight134.27 g/mol
Exact Mass134.18
IUPAC Namemethanediamine;propane
SMILESCCC.CCC.NCN
InChIInChI=1S/2C3H8.CH6N2/c2*1-3-2;2-1-3/h2*3H2,1-2H3;1-3H2
InChIKeyACCIHKZGPFUJSW-UHFFFAOYSA-N
XLogP1.69
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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ethanamine;dihydrochloride
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ethanamine;tetrahydrochloride
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ethane;methane;methanediamine
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Frequently Asked Questions

What is the IUPAC name of methanediamine;propane?
The IUPAC name of methanediamine;propane (CID 157068020) is methanediamine;propane.
What is the SMILES notation for methanediamine;propane?
The canonical SMILES for methanediamine;propane is CCC.CCC.NCN.
What is the InChIKey of methanediamine;propane?
The InChIKey is ACCIHKZGPFUJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8.CH6N2/c2*1-3-2;2-1-3/h2*3H2,1-2H3;1-3H2.
What are the key properties of methanediamine;propane?
methanediamine;propane has a molecular weight of 134.27 g/mol, XLogP of 1.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanediamine;propane is sourced from PubChem (CID 157068020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).