(3R,4R)-4-azido-3-methylundec-1-ene

C12H23N3 — CID 10560363

IUPAC(3R,4R)-4-azido-3-methylundec-1-ene
SMILESC=C[C@@H](C)[C@@H](CCCCCCC)N=[N+]=[N-]
InChIInChI=1S/C12H23N3/c1-4-6-7-8-9-10-12(14-15-13)11(3)5-2/h5,11-12H,2,4,6-10H2,1,3H3/t11-,12-/m1/s1
InChIKeyGBMGTIFTVYSNKP-VXGBXAGGSA-N
MW209.34 g/mol
LogP4.85
Rot. Bonds9

About (3R,4R)-4-azido-3-methylundec-1-ene

(3R,4R)-4-azido-3-methylundec-1-ene (PubChem CID 10560363) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (3R,4R)-4-azido-3-methylundec-1-ene.

Molecular Properties

Compound Name(3R,4R)-4-azido-3-methylundec-1-ene
PubChem CID10560363
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(3R,4R)-4-azido-3-methylundec-1-ene
SMILESC=C[C@@H](C)[C@@H](CCCCCCC)N=[N+]=[N-]
InChIInChI=1S/C12H23N3/c1-4-6-7-8-9-10-12(14-15-13)11(3)5-2/h5,11-12H,2,4,6-10H2,1,3H3/t11-,12-/m1/s1
InChIKeyGBMGTIFTVYSNKP-VXGBXAGGSA-N
XLogP4.85
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-azido-3-methylundec-1-ene?
The IUPAC name of (3R,4R)-4-azido-3-methylundec-1-ene (CID 10560363) is (3R,4R)-4-azido-3-methylundec-1-ene.
What is the SMILES notation for (3R,4R)-4-azido-3-methylundec-1-ene?
The canonical SMILES for (3R,4R)-4-azido-3-methylundec-1-ene is C=C[C@@H](C)[C@@H](CCCCCCC)N=[N+]=[N-].
What is the InChIKey of (3R,4R)-4-azido-3-methylundec-1-ene?
The InChIKey is GBMGTIFTVYSNKP-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-7-8-9-10-12(14-15-13)11(3)5-2/h5,11-12H,2,4,6-10H2,1,3H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-4-azido-3-methylundec-1-ene?
(3R,4R)-4-azido-3-methylundec-1-ene has a molecular weight of 209.34 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-azido-3-methylundec-1-ene is sourced from PubChem (CID 10560363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).