4-azidohex-5-en-1-yn-3-amine

C6H8N4 — CID 175452506

IUPAC4-azidohex-5-en-1-yn-3-amine
SMILESC#CC(N)C(C=C)N=[N+]=[N-]
InChIInChI=1S/C6H8N4/c1-3-5(7)6(4-2)9-10-8/h1,4-6H,2,7H2
InChIKeyMVKCTJKEGVHIBV-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.81
Rot. Bonds3

About 4-azidohex-5-en-1-yn-3-amine

4-azidohex-5-en-1-yn-3-amine (PubChem CID 175452506) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 4-azidohex-5-en-1-yn-3-amine.

Molecular Properties

Compound Name4-azidohex-5-en-1-yn-3-amine
PubChem CID175452506
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name4-azidohex-5-en-1-yn-3-amine
SMILESC#CC(N)C(C=C)N=[N+]=[N-]
InChIInChI=1S/C6H8N4/c1-3-5(7)6(4-2)9-10-8/h1,4-6H,2,7H2
InChIKeyMVKCTJKEGVHIBV-UHFFFAOYSA-N
XLogP0.81
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-aminohex-1-en-5-yn-3-ol
CID 20545573
3-azido-4-prop-2-ynoxybut-1-ene
CID 138982903
1-azidoprop-2-enylcyclohexane
CID 102226728
azidoethene;prop-1-yne
CID 123505749
(3S)-4-methylpent-1-yn-3-amine
CID 11579133
(3S)-3-azidoocta-1,7-diene
CID 134851828
(3R,4R)-4-methylhex-1-yn-3-amine
CID 130642169
5-azidohex-1-yne
CID 89255941
2-azidopent-4-enoic acid
CID 77132005
azidoethene
CID 12841953
1,1-diazidoethane
CID 57220591
prop-2-ene-1,1-diamine;titanium
CID 174369979

Frequently Asked Questions

What is the IUPAC name of 4-azidohex-5-en-1-yn-3-amine?
The IUPAC name of 4-azidohex-5-en-1-yn-3-amine (CID 175452506) is 4-azidohex-5-en-1-yn-3-amine.
What is the SMILES notation for 4-azidohex-5-en-1-yn-3-amine?
The canonical SMILES for 4-azidohex-5-en-1-yn-3-amine is C#CC(N)C(C=C)N=[N+]=[N-].
What is the InChIKey of 4-azidohex-5-en-1-yn-3-amine?
The InChIKey is MVKCTJKEGVHIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-3-5(7)6(4-2)9-10-8/h1,4-6H,2,7H2.
What are the key properties of 4-azidohex-5-en-1-yn-3-amine?
4-azidohex-5-en-1-yn-3-amine has a molecular weight of 136.16 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidohex-5-en-1-yn-3-amine is sourced from PubChem (CID 175452506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).