hexa-1,5-diene-2,5-diamine

C6H12N2 — CID 88966160

IUPAChexa-1,5-diene-2,5-diamine
SMILESC=C(N)CCC(=C)N
InChIInChI=1S/C6H12N2/c1-5(7)3-4-6(2)8/h1-4,7-8H2
InChIKeyCCLWUYICSQBHCX-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.71
Rot. Bonds3

About hexa-1,5-diene-2,5-diamine

hexa-1,5-diene-2,5-diamine (PubChem CID 88966160) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is hexa-1,5-diene-2,5-diamine.

Molecular Properties

Compound Namehexa-1,5-diene-2,5-diamine
PubChem CID88966160
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Namehexa-1,5-diene-2,5-diamine
SMILESC=C(N)CCC(=C)N
InChIInChI=1S/C6H12N2/c1-5(7)3-4-6(2)8/h1-4,7-8H2
InChIKeyCCLWUYICSQBHCX-UHFFFAOYSA-N
XLogP0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hexa-1,5-diene-2,5-diamine?
The IUPAC name of hexa-1,5-diene-2,5-diamine (CID 88966160) is hexa-1,5-diene-2,5-diamine.
What is the SMILES notation for hexa-1,5-diene-2,5-diamine?
The canonical SMILES for hexa-1,5-diene-2,5-diamine is C=C(N)CCC(=C)N.
What is the InChIKey of hexa-1,5-diene-2,5-diamine?
The InChIKey is CCLWUYICSQBHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(7)3-4-6(2)8/h1-4,7-8H2.
What are the key properties of hexa-1,5-diene-2,5-diamine?
hexa-1,5-diene-2,5-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,5-diene-2,5-diamine is sourced from PubChem (CID 88966160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).