propane-1,3-diamine;propane-2,2-diamine

C6H20N4 — CID 159356345

IUPACpropane-1,3-diamine;propane-2,2-diamine
SMILESCC(C)(N)N.NCCCN
InChIInChI=1S/2C3H10N2/c1-3(2,4)5;4-2-1-3-5/h4-5H2,1-2H3;1-5H2
InChIKeyLHYVICCOMWKJDG-UHFFFAOYSA-N
MW148.25 g/mol
LogP-1.07
Rot. Bonds2

About propane-1,3-diamine;propane-2,2-diamine

propane-1,3-diamine;propane-2,2-diamine (PubChem CID 159356345) has the molecular formula C6H20N4 and a molecular weight of 148.25 g/mol. Its IUPAC name is propane-1,3-diamine;propane-2,2-diamine.

Molecular Properties

Compound Namepropane-1,3-diamine;propane-2,2-diamine
PubChem CID159356345
Molecular FormulaC6H20N4
Molecular Weight148.25 g/mol
Exact Mass148.17
IUPAC Namepropane-1,3-diamine;propane-2,2-diamine
SMILESCC(C)(N)N.NCCCN
InChIInChI=1S/2C3H10N2/c1-3(2,4)5;4-2-1-3-5/h4-5H2,1-2H3;1-5H2
InChIKeyLHYVICCOMWKJDG-UHFFFAOYSA-N
XLogP-1.07
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;2,2-dimethylbutane;propane-1,3-diamine
CID 173127451
hexane-1,5,5-triamine
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CID 14454757
iron(3+);propane-1,3-diamine
CID 18953212
CID 21315680
CID 21315680
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
hydron;propane-1,3-diamine;iodide
CID 175361100
platinum(2+);propane-1,3-diamine;dichloride
CID 11717080
ethene;propane-1,3-diamine
CID 158358945
2-methylpropan-2-amine;propan-1-amine
CID 19917238
11-methyldodecane-1,11-diamine;propane
CID 145179809
5,5-dimethylhexan-1-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of propane-1,3-diamine;propane-2,2-diamine?
The IUPAC name of propane-1,3-diamine;propane-2,2-diamine (CID 159356345) is propane-1,3-diamine;propane-2,2-diamine.
What is the SMILES notation for propane-1,3-diamine;propane-2,2-diamine?
The canonical SMILES for propane-1,3-diamine;propane-2,2-diamine is CC(C)(N)N.NCCCN.
What is the InChIKey of propane-1,3-diamine;propane-2,2-diamine?
The InChIKey is LHYVICCOMWKJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H10N2/c1-3(2,4)5;4-2-1-3-5/h4-5H2,1-2H3;1-5H2.
What are the key properties of propane-1,3-diamine;propane-2,2-diamine?
propane-1,3-diamine;propane-2,2-diamine has a molecular weight of 148.25 g/mol, XLogP of -1.07, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,3-diamine;propane-2,2-diamine is sourced from PubChem (CID 159356345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).