cyclohexa-1,4-diene-1,2,3,4,5,6-hexamine

C6H14N6 — CID 163461177

IUPACcyclohexa-1,4-diene-1,2,3,4,5,6-hexamine
SMILESNC1=C(N)C(N)C(N)=C(N)C1N
InChIInChI=1S/C6H14N6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1,6H,7-12H2
InChIKeyBOROWZZLDHMMOI-UHFFFAOYSA-N
MW170.22 g/mol
LogP-3.09
Rot. Bonds

About cyclohexa-1,4-diene-1,2,3,4,5,6-hexamine

cyclohexa-1,4-diene-1,2,3,4,5,6-hexamine (PubChem CID 163461177) has the molecular formula C6H14N6 and a molecular weight of 170.22 g/mol. Its IUPAC name is cyclohexa-1,4-diene-1,2,3,4,5,6-hexamine.

Molecular Properties

Compound Namecyclohexa-1,4-diene-1,2,3,4,5,6-hexamine
PubChem CID163461177
Molecular FormulaC6H14N6
Molecular Weight170.22 g/mol
Exact Mass170.13
IUPAC Namecyclohexa-1,4-diene-1,2,3,4,5,6-hexamine
SMILESNC1=C(N)C(N)C(N)=C(N)C1N
InChIInChI=1S/C6H14N6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1,6H,7-12H2
InChIKeyBOROWZZLDHMMOI-UHFFFAOYSA-N
XLogP-3.09
TPSA156.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500170.22
LogP ≤ 5-3.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,4-diene-1,2,3,4,5,6-hexamine?
The IUPAC name of cyclohexa-1,4-diene-1,2,3,4,5,6-hexamine (CID 163461177) is cyclohexa-1,4-diene-1,2,3,4,5,6-hexamine.
What is the SMILES notation for cyclohexa-1,4-diene-1,2,3,4,5,6-hexamine?
The canonical SMILES for cyclohexa-1,4-diene-1,2,3,4,5,6-hexamine is NC1=C(N)C(N)C(N)=C(N)C1N.
What is the InChIKey of cyclohexa-1,4-diene-1,2,3,4,5,6-hexamine?
The InChIKey is BOROWZZLDHMMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1,6H,7-12H2.
What are the key properties of cyclohexa-1,4-diene-1,2,3,4,5,6-hexamine?
cyclohexa-1,4-diene-1,2,3,4,5,6-hexamine has a molecular weight of 170.22 g/mol, XLogP of -3.09, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,4-diene-1,2,3,4,5,6-hexamine is sourced from PubChem (CID 163461177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).