1-azido-4,4,5,5-tetramethylhexane

C10H21N3 — CID 20706505

IUPAC1-azido-4,4,5,5-tetramethylhexane
SMILESCC(C)(C)C(C)(C)CCCN=[N+]=[N-]
InChIInChI=1S/C10H21N3/c1-9(2,3)10(4,5)7-6-8-12-13-11/h6-8H2,1-5H3
InChIKeyBWVLXCQJXGAIQJ-UHFFFAOYSA-N
MW183.30 g/mol
LogP4.15
Rot. Bonds4

About 1-azido-4,4,5,5-tetramethylhexane

1-azido-4,4,5,5-tetramethylhexane (PubChem CID 20706505) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-azido-4,4,5,5-tetramethylhexane.

Molecular Properties

Compound Name1-azido-4,4,5,5-tetramethylhexane
PubChem CID20706505
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-azido-4,4,5,5-tetramethylhexane
SMILESCC(C)(C)C(C)(C)CCCN=[N+]=[N-]
InChIInChI=1S/C10H21N3/c1-9(2,3)10(4,5)7-6-8-12-13-11/h6-8H2,1-5H3
InChIKeyBWVLXCQJXGAIQJ-UHFFFAOYSA-N
XLogP4.15
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 54.15
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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1-Azido-2,2,4,4-tetramethylpentane
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1-(3-Azidopropyl)-1-methylcyclopentane
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4-(Azidomethyl)-2-methylhexane
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1-(4-Azidobutyl)-1-methylcyclopentane
CID 23383994
(4R)-4-(azidomethyl)-2-methylhexane
CID 53880587
1-Azido-6,6-dimethylheptane
CID 58896049
trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane
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(3R,4R)-4-(azidomethyl)-2,3-dimethylhexane
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(3S,4S)-1-azido-2,3,4-trimethylhexane
CID 59105118

Frequently Asked Questions

What is the IUPAC name of 1-azido-4,4,5,5-tetramethylhexane?
The IUPAC name of 1-azido-4,4,5,5-tetramethylhexane (CID 20706505) is 1-azido-4,4,5,5-tetramethylhexane.
What is the SMILES notation for 1-azido-4,4,5,5-tetramethylhexane?
The canonical SMILES for 1-azido-4,4,5,5-tetramethylhexane is CC(C)(C)C(C)(C)CCCN=[N+]=[N-].
What is the InChIKey of 1-azido-4,4,5,5-tetramethylhexane?
The InChIKey is BWVLXCQJXGAIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-9(2,3)10(4,5)7-6-8-12-13-11/h6-8H2,1-5H3.
What are the key properties of 1-azido-4,4,5,5-tetramethylhexane?
1-azido-4,4,5,5-tetramethylhexane has a molecular weight of 183.30 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4,4,5,5-tetramethylhexane is sourced from PubChem (CID 20706505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).