(2R)-2-azido-3,3-dimethyl-1-nitrobutane

C6H12N4O2 — CID 122382472

IUPAC(2R)-2-azido-3,3-dimethyl-1-nitrobutane
SMILESCC(C)(C)[C@H](C[N+](=O)[O-])N=[N+]=[N-]
InChIInChI=1S/C6H12N4O2/c1-6(2,3)5(8-9-7)4-10(11)12/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyFVVUJCOPAOLHDX-YFKPBYRVSA-N
MW172.19 g/mol
LogP1.99
Rot. Bonds3

About (2R)-2-azido-3,3-dimethyl-1-nitrobutane

(2R)-2-azido-3,3-dimethyl-1-nitrobutane (PubChem CID 122382472) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is (2R)-2-azido-3,3-dimethyl-1-nitrobutane.

Molecular Properties

Compound Name(2R)-2-azido-3,3-dimethyl-1-nitrobutane
PubChem CID122382472
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name(2R)-2-azido-3,3-dimethyl-1-nitrobutane
SMILESCC(C)(C)[C@H](C[N+](=O)[O-])N=[N+]=[N-]
InChIInChI=1S/C6H12N4O2/c1-6(2,3)5(8-9-7)4-10(11)12/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyFVVUJCOPAOLHDX-YFKPBYRVSA-N
XLogP1.99
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yloxy-3,3-dimethyl-1-nitrobutane
CID 10631984
3,3-dimethyl-1-nitrobutan-2-ol
CID 13023786
(2S)-3-methyl-1-nitrobutan-2-amine
CID 162022733
1,1,4-triazido-2-(azidomethyl)-3-methyl-2,3-dinitrobutane
CID 141353088
1,3-diazido-1-(1,1-dinitroethoxy)-3-fluoropropane
CID 20530981
2-methyl-3-nitro-2-nitrosobutane
CID 119096339
2,4-diazidopentane
CID 78066525
1,1,1-triazido-2,2-dinitroethane
CID 177383599
5-azido-4,4-dimethylhexan-3-one
CID 118297127
2-methyl-3-nitrobutane
CID 13185641
1,1-diazidoethane
CID 57220591
2-methyl-1-nitrohexane
CID 146882628

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azido-3,3-dimethyl-1-nitrobutane?
The IUPAC name of (2R)-2-azido-3,3-dimethyl-1-nitrobutane (CID 122382472) is (2R)-2-azido-3,3-dimethyl-1-nitrobutane.
What is the SMILES notation for (2R)-2-azido-3,3-dimethyl-1-nitrobutane?
The canonical SMILES for (2R)-2-azido-3,3-dimethyl-1-nitrobutane is CC(C)(C)[C@H](C[N+](=O)[O-])N=[N+]=[N-].
What is the InChIKey of (2R)-2-azido-3,3-dimethyl-1-nitrobutane?
The InChIKey is FVVUJCOPAOLHDX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-6(2,3)5(8-9-7)4-10(11)12/h5H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (2R)-2-azido-3,3-dimethyl-1-nitrobutane?
(2R)-2-azido-3,3-dimethyl-1-nitrobutane has a molecular weight of 172.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azido-3,3-dimethyl-1-nitrobutane is sourced from PubChem (CID 122382472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).