hept-6-ene-1,6-diamine

C7H16N2 — CID 88846355

IUPAChept-6-ene-1,6-diamine
SMILESC=C(N)CCCCCN
InChIInChI=1S/C7H16N2/c1-7(9)5-3-2-4-6-8/h1-6,8-9H2
InChIKeyDNGVEJZHWVGUML-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.98
Rot. Bonds5

About hept-6-ene-1,6-diamine

hept-6-ene-1,6-diamine (PubChem CID 88846355) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is hept-6-ene-1,6-diamine.

Molecular Properties

Compound Namehept-6-ene-1,6-diamine
PubChem CID88846355
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Namehept-6-ene-1,6-diamine
SMILESC=C(N)CCCCCN
InChIInChI=1S/C7H16N2/c1-7(9)5-3-2-4-6-8/h1-6,8-9H2
InChIKeyDNGVEJZHWVGUML-UHFFFAOYSA-N
XLogP0.98
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hept-6-ene-1,6-diamine?
The IUPAC name of hept-6-ene-1,6-diamine (CID 88846355) is hept-6-ene-1,6-diamine.
What is the SMILES notation for hept-6-ene-1,6-diamine?
The canonical SMILES for hept-6-ene-1,6-diamine is C=C(N)CCCCCN.
What is the InChIKey of hept-6-ene-1,6-diamine?
The InChIKey is DNGVEJZHWVGUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(9)5-3-2-4-6-8/h1-6,8-9H2.
What are the key properties of hept-6-ene-1,6-diamine?
hept-6-ene-1,6-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hept-6-ene-1,6-diamine is sourced from PubChem (CID 88846355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).