(4R)-3-azido-4-methylhexane

C7H15N3 — CID 54477838

IUPAC(4R)-3-azido-4-methylhexane
SMILESCCC(N=[N+]=[N-])[C@H](C)CC
InChIInChI=1S/C7H15N3/c1-4-6(3)7(5-2)9-10-8/h6-7H,4-5H2,1-3H3/t6-,7?/m1/s1
InChIKeyXMVMQJXLUIYLSU-ULUSZKPHSA-N
MW141.22 g/mol
LogP3.12
Rot. Bonds4

About (4R)-3-azido-4-methylhexane

(4R)-3-azido-4-methylhexane (PubChem CID 54477838) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (4R)-3-azido-4-methylhexane.

Molecular Properties

Compound Name(4R)-3-azido-4-methylhexane
PubChem CID54477838
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(4R)-3-azido-4-methylhexane
SMILESCCC(N=[N+]=[N-])[C@H](C)CC
InChIInChI=1S/C7H15N3/c1-4-6(3)7(5-2)9-10-8/h6-7H,4-5H2,1-3H3/t6-,7?/m1/s1
InChIKeyXMVMQJXLUIYLSU-ULUSZKPHSA-N
XLogP3.12
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 53.12
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-azido-3-methylpentan-1-ol
CID 130656400
(2S,3S)-2-azido-3-methylpentanoyl chloride
CID 15953720
(2S)-2-azido-3-ethyl-1-sulfanyloxypentane
CID 89309661
2,4-diazidopentane
CID 78066525
3-azidopentane
CID 19966832
2-azido-3-ethylpentan-1-ol
CID 152756616
3-azido-2-ethylpentanamide
CID 152730747
1,1-diazidoethane
CID 57220591
methyl (2S)-2-azido-3-methylpentanoate
CID 102453240
methyl (2S,3S)-2-azido-3-methylpentanoate
CID 57194503
1-azido-3-methylpentan-2-ol
CID 116691796
3-azido-4-methylpentanal
CID 16744415

Frequently Asked Questions

What is the IUPAC name of (4R)-3-azido-4-methylhexane?
The IUPAC name of (4R)-3-azido-4-methylhexane (CID 54477838) is (4R)-3-azido-4-methylhexane.
What is the SMILES notation for (4R)-3-azido-4-methylhexane?
The canonical SMILES for (4R)-3-azido-4-methylhexane is CCC(N=[N+]=[N-])[C@H](C)CC.
What is the InChIKey of (4R)-3-azido-4-methylhexane?
The InChIKey is XMVMQJXLUIYLSU-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H15N3/c1-4-6(3)7(5-2)9-10-8/h6-7H,4-5H2,1-3H3/t6-,7?/m1/s1.
What are the key properties of (4R)-3-azido-4-methylhexane?
(4R)-3-azido-4-methylhexane has a molecular weight of 141.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-azido-4-methylhexane is sourced from PubChem (CID 54477838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).