(5R,6S)-6-azido-5-methylhept-1-ene

C8H15N3 — CID 118642773

IUPAC(5R,6S)-6-azido-5-methylhept-1-ene
SMILESC=CCC[C@@H](C)[C@H](C)N=[N+]=[N-]
InChIInChI=1S/C8H15N3/c1-4-5-6-7(2)8(3)10-11-9/h4,7-8H,1,5-6H2,2-3H3/t7-,8+/m1/s1
InChIKeyWMLQBICVISLIME-SFYZADRCSA-N
MW153.23 g/mol
LogP3.29
Rot. Bonds5

About (5R,6S)-6-azido-5-methylhept-1-ene

(5R,6S)-6-azido-5-methylhept-1-ene (PubChem CID 118642773) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (5R,6S)-6-azido-5-methylhept-1-ene.

Molecular Properties

Compound Name(5R,6S)-6-azido-5-methylhept-1-ene
PubChem CID118642773
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(5R,6S)-6-azido-5-methylhept-1-ene
SMILESC=CCC[C@@H](C)[C@H](C)N=[N+]=[N-]
InChIInChI=1S/C8H15N3/c1-4-5-6-7(2)8(3)10-11-9/h4,7-8H,1,5-6H2,2-3H3/t7-,8+/m1/s1
InChIKeyWMLQBICVISLIME-SFYZADRCSA-N
XLogP3.29
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-azido-5-methylhept-1-ene?
The IUPAC name of (5R,6S)-6-azido-5-methylhept-1-ene (CID 118642773) is (5R,6S)-6-azido-5-methylhept-1-ene.
What is the SMILES notation for (5R,6S)-6-azido-5-methylhept-1-ene?
The canonical SMILES for (5R,6S)-6-azido-5-methylhept-1-ene is C=CCC[C@@H](C)[C@H](C)N=[N+]=[N-].
What is the InChIKey of (5R,6S)-6-azido-5-methylhept-1-ene?
The InChIKey is WMLQBICVISLIME-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-5-6-7(2)8(3)10-11-9/h4,7-8H,1,5-6H2,2-3H3/t7-,8+/m1/s1.
What are the key properties of (5R,6S)-6-azido-5-methylhept-1-ene?
(5R,6S)-6-azido-5-methylhept-1-ene has a molecular weight of 153.23 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-azido-5-methylhept-1-ene is sourced from PubChem (CID 118642773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).