tert-butyl-(2-chloro-4-methylpentyl)diazene

C10H21ClN2 — CID 21486294

IUPACtert-butyl-(2-chloro-4-methylpentyl)diazene
SMILESCC(C)CC(Cl)C/N=N/C(C)(C)C
InChIInChI=1S/C10H21ClN2/c1-8(2)6-9(11)7-12-13-10(3,4)5/h8-9H,6-7H2,1-5H3/b13-12+
InChIKeyUUKJVQYJONFXTD-OUKQBFOZSA-N
MW204.74 g/mol
LogP3.89
Rot. Bonds4

About tert-butyl-(2-chloro-4-methylpentyl)diazene

tert-butyl-(2-chloro-4-methylpentyl)diazene (PubChem CID 21486294) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is tert-butyl-(2-chloro-4-methylpentyl)diazene.

Molecular Properties

Compound Nametert-butyl-(2-chloro-4-methylpentyl)diazene
PubChem CID21486294
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC Nametert-butyl-(2-chloro-4-methylpentyl)diazene
SMILESCC(C)CC(Cl)C/N=N/C(C)(C)C
InChIInChI=1S/C10H21ClN2/c1-8(2)6-9(11)7-12-13-10(3,4)5/h8-9H,6-7H2,1-5H3/b13-12+
InChIKeyUUKJVQYJONFXTD-OUKQBFOZSA-N
XLogP3.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;tert-butyl(2-methylpentyl)diazene
CID 70406831
2-chloro-4-methylpentan-1-ol
CID 13050114
N,2-ditert-butyl-4-methylpentan-1-amine
CID 83138454
tert-butyl(1-chloropropyl)diazene
CID 15264506
tert-butyl(2,2-dimethylpropyl)diazene
CID 58200153
(3R)-2,2,5-trimethylhexan-3-amine
CID 93312693
2,4-dimethylpentane
CID 157050020
(2S)-4-(tert-butyldiazenyl)-2-methylbutanenitrile
CID 174241232
2,2,4,6-tetramethylheptan-3-ol
CID 89214446
(3S)-2,2,5-trimethyl-3-[(3S)-2,2,5-trimethylhexan-3-yl]oxyhexane
CID 129395749
N-(2-chloro-4-methylpentyl)-1-methyltetrazol-5-amine
CID 107156271
CID 173374720
CID 173374720

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-chloro-4-methylpentyl)diazene?
The IUPAC name of tert-butyl-(2-chloro-4-methylpentyl)diazene (CID 21486294) is tert-butyl-(2-chloro-4-methylpentyl)diazene.
What is the SMILES notation for tert-butyl-(2-chloro-4-methylpentyl)diazene?
The canonical SMILES for tert-butyl-(2-chloro-4-methylpentyl)diazene is CC(C)CC(Cl)C/N=N/C(C)(C)C.
What is the InChIKey of tert-butyl-(2-chloro-4-methylpentyl)diazene?
The InChIKey is UUKJVQYJONFXTD-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H21ClN2/c1-8(2)6-9(11)7-12-13-10(3,4)5/h8-9H,6-7H2,1-5H3/b13-12+.
What are the key properties of tert-butyl-(2-chloro-4-methylpentyl)diazene?
tert-butyl-(2-chloro-4-methylpentyl)diazene has a molecular weight of 204.74 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-chloro-4-methylpentyl)diazene is sourced from PubChem (CID 21486294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).