(2R,3R)-1-azido-2,3-dimethylheptadec-5-ene

C19H37N3 — CID 91378632

IUPAC(2R,3R)-1-azido-2,3-dimethylheptadec-5-ene
SMILESCCCCCCCCCCCC=CC[C@@H](C)[C@@H](C)CN=[N+]=[N-]
InChIInChI=1S/C19H37N3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)19(3)17-21-22-20/h14-15,18-19H,4-13,16-17H2,1-3H3/t18-,19+/m1/s1
InChIKeyVIMOKFALRLEDRG-MOPGFXCFSA-N
MW307.53 g/mol
LogP7.44
Rot. Bonds15

About (2R,3R)-1-azido-2,3-dimethylheptadec-5-ene

(2R,3R)-1-azido-2,3-dimethylheptadec-5-ene (PubChem CID 91378632) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is (2R,3R)-1-azido-2,3-dimethylheptadec-5-ene.

Molecular Properties

Compound Name(2R,3R)-1-azido-2,3-dimethylheptadec-5-ene
PubChem CID91378632
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name(2R,3R)-1-azido-2,3-dimethylheptadec-5-ene
SMILESCCCCCCCCCCCC=CC[C@@H](C)[C@@H](C)CN=[N+]=[N-]
InChIInChI=1S/C19H37N3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)19(3)17-21-22-20/h14-15,18-19H,4-13,16-17H2,1-3H3/t18-,19+/m1/s1
InChIKeyVIMOKFALRLEDRG-MOPGFXCFSA-N
XLogP7.44
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.53
LogP ≤ 57.44
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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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-azido-2,3-dimethylheptadec-5-ene?
The IUPAC name of (2R,3R)-1-azido-2,3-dimethylheptadec-5-ene (CID 91378632) is (2R,3R)-1-azido-2,3-dimethylheptadec-5-ene.
What is the SMILES notation for (2R,3R)-1-azido-2,3-dimethylheptadec-5-ene?
The canonical SMILES for (2R,3R)-1-azido-2,3-dimethylheptadec-5-ene is CCCCCCCCCCCC=CC[C@@H](C)[C@@H](C)CN=[N+]=[N-].
What is the InChIKey of (2R,3R)-1-azido-2,3-dimethylheptadec-5-ene?
The InChIKey is VIMOKFALRLEDRG-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H37N3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)19(3)17-21-22-20/h14-15,18-19H,4-13,16-17H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of (2R,3R)-1-azido-2,3-dimethylheptadec-5-ene?
(2R,3R)-1-azido-2,3-dimethylheptadec-5-ene has a molecular weight of 307.53 g/mol, XLogP of 7.44, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-azido-2,3-dimethylheptadec-5-ene is sourced from PubChem (CID 91378632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).