(5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene

C13H23N3 — CID 10104931

IUPAC(5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene
SMILESC=CCC[C@H](N=[N+]=[N-])[C@H](C)CCC=C(C)C
InChIInChI=1S/C13H23N3/c1-5-6-10-13(15-16-14)12(4)9-7-8-11(2)3/h5,8,12-13H,1,6-7,9-10H2,2-4H3/t12-,13+/m1/s1
InChIKeyCEZBDYHYBNSMQT-OLZOCXBDSA-N
MW221.35 g/mol
LogP5.01
Rot. Bonds8

About (5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene

(5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene (PubChem CID 10104931) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene.

Molecular Properties

Compound Name(5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene
PubChem CID10104931
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene
SMILESC=CCC[C@H](N=[N+]=[N-])[C@H](C)CCC=C(C)C
InChIInChI=1S/C13H23N3/c1-5-6-10-13(15-16-14)12(4)9-7-8-11(2)3/h5,8,12-13H,1,6-7,9-10H2,2-4H3/t12-,13+/m1/s1
InChIKeyCEZBDYHYBNSMQT-OLZOCXBDSA-N
XLogP5.01
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.35
LogP ≤ 55.01
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'}

Analyze (5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-4-azido-3-methylundec-1-ene
CID 10560363
Citronellyl azide
CID 11412737
(6R)-8-azido-2,6-dimethyloct-2-ene
CID 135039163
3-(Azidomethyl)-1-ethylcyclohexene
CID 18621673
(5E,9E)-3,12-bis(2-methylpropyl)-1,2-diazacyclododeca-1,5,9-triene
CID 22810400
(5E,9E)-3,12-di(butan-2-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 22811411
(5E,9E)-3,12-di(pentan-2-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 22811412
(5E,9E)-3,12-di(octan-4-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 22812441
2(R),3(S),7-trimethyl-1-azido-6-octene
CID 22872575
(5Z,9Z)-3,12-di(octan-4-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 23455926
(5Z,9Z)-3,12-di(pentan-2-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 23455928
(5Z,9Z)-3,12-di(butan-2-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 23455930

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene?
The IUPAC name of (5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene (CID 10104931) is (5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene.
What is the SMILES notation for (5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene?
The canonical SMILES for (5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene is C=CCC[C@H](N=[N+]=[N-])[C@H](C)CCC=C(C)C.
What is the InChIKey of (5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene?
The InChIKey is CEZBDYHYBNSMQT-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-6-10-13(15-16-14)12(4)9-7-8-11(2)3/h5,8,12-13H,1,6-7,9-10H2,2-4H3/t12-,13+/m1/s1.
What are the key properties of (5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene?
(5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene has a molecular weight of 221.35 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-azido-6,10-dimethylundeca-1,9-diene is sourced from PubChem (CID 10104931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).