4-diazenyloctane-1,8-diamine

C8H20N4 — CID 175172672

IUPAC4-diazenyloctane-1,8-diamine
SMILES[H]/N=N/C(CCCN)CCCCN
InChIInChI=1S/C8H20N4/c9-6-2-1-4-8(12-11)5-3-7-10/h8,11H,1-7,9-10H2/b12-11+
InChIKeyVOUYKZFRGWSDSR-VAWYXSNFSA-N
MW172.28 g/mol
LogP1.25
Rot. Bonds8

About 4-diazenyloctane-1,8-diamine

4-diazenyloctane-1,8-diamine (PubChem CID 175172672) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 4-diazenyloctane-1,8-diamine.

Molecular Properties

Compound Name4-diazenyloctane-1,8-diamine
PubChem CID175172672
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name4-diazenyloctane-1,8-diamine
SMILES[H]/N=N/C(CCCN)CCCCN
InChIInChI=1S/C8H20N4/c9-6-2-1-4-8(12-11)5-3-7-10/h8,11H,1-7,9-10H2/b12-11+
InChIKeyVOUYKZFRGWSDSR-VAWYXSNFSA-N
XLogP1.25
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

14-amino-5-diazenyl-3-iminotetradecane-1-thiol
CID 134325414
octane-1,4,8-triamine
CID 18544198
(4S)-4-(aminomethyl)octane-1,8-diamine
CID 86309254
pentacosane-1,13,25-triamine
CID 174653759
1-bromohexane-1,6-diamine
CID 174353675
1-bromododecane-1,12-diamine
CID 175488635
pentane-1,5-diamine;tantalum
CID 159829635
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
36-methylheptatriacontan-1-amine
CID 134324173
14-aminotetradecane-1,1-diol
CID 87370531
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225

Frequently Asked Questions

What is the IUPAC name of 4-diazenyloctane-1,8-diamine?
The IUPAC name of 4-diazenyloctane-1,8-diamine (CID 175172672) is 4-diazenyloctane-1,8-diamine.
What is the SMILES notation for 4-diazenyloctane-1,8-diamine?
The canonical SMILES for 4-diazenyloctane-1,8-diamine is [H]/N=N/C(CCCN)CCCCN.
What is the InChIKey of 4-diazenyloctane-1,8-diamine?
The InChIKey is VOUYKZFRGWSDSR-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H20N4/c9-6-2-1-4-8(12-11)5-3-7-10/h8,11H,1-7,9-10H2/b12-11+.
What are the key properties of 4-diazenyloctane-1,8-diamine?
4-diazenyloctane-1,8-diamine has a molecular weight of 172.28 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazenyloctane-1,8-diamine is sourced from PubChem (CID 175172672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).