azane;7-chloro-7-hexyl-8-methyltetradecane

C21H46ClN — CID 88840314

IUPACazane;7-chloro-7-hexyl-8-methyltetradecane
SMILESCCCCCCC(C)C(Cl)(CCCCCC)CCCCCC.N
InChIInChI=1S/C21H43Cl.H3N/c1-5-8-11-14-17-20(4)21(22,18-15-12-9-6-2)19-16-13-10-7-3;/h20H,5-19H2,1-4H3;1H3
InChIKeyAAQDUCMOTNQNJD-UHFFFAOYSA-N
MW348.06 g/mol
LogP8.67
Rot. Bonds16

About azane;7-chloro-7-hexyl-8-methyltetradecane

azane;7-chloro-7-hexyl-8-methyltetradecane (PubChem CID 88840314) has the molecular formula C21H46ClN and a molecular weight of 348.06 g/mol. Its IUPAC name is azane;7-chloro-7-hexyl-8-methyltetradecane.

Molecular Properties

Compound Nameazane;7-chloro-7-hexyl-8-methyltetradecane
PubChem CID88840314
Molecular FormulaC21H46ClN
Molecular Weight348.06 g/mol
Exact Mass347.33
IUPAC Nameazane;7-chloro-7-hexyl-8-methyltetradecane
SMILESCCCCCCC(C)C(Cl)(CCCCCC)CCCCCC.N
InChIInChI=1S/C21H43Cl.H3N/c1-5-8-11-14-17-20(4)21(22,18-15-12-9-6-2)19-16-13-10-7-3;/h20H,5-19H2,1-4H3;1H3
InChIKeyAAQDUCMOTNQNJD-UHFFFAOYSA-N
XLogP8.67
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.06
LogP ≤ 58.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

12-chloro-13-methyl-12-undecyltetracosane
CID 88839941
13-chloro-13-dodecyl-14-methylhexacosane
CID 88839869
3-chloro-3-octan-2-ylpentane-1,5-diol
CID 158211848
azane;9-butyl-8-chloro-8-heptylhexadecane
CID 88840241
2-chloro-2,3-dimethylnonane
CID 87897655
2-chloro-2,3-dimethyltridecane
CID 87222996
4-chloro-4,5-dimethyltridecane
CID 152641357
(8-methyl-7-phosphanyltetradecan-7-yl)phosphane
CID 174915942
azane;2-chloro-2-methyltridecane
CID 87093642
9-butyl-10-methyloctadecan-9-ol
CID 173066845
(10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide
CID 173157963
13-decyl-11-methyl-12-nonyl-12-octyl-13-undecylpentacosane
CID 141153698

Frequently Asked Questions

What is the IUPAC name of azane;7-chloro-7-hexyl-8-methyltetradecane?
The IUPAC name of azane;7-chloro-7-hexyl-8-methyltetradecane (CID 88840314) is azane;7-chloro-7-hexyl-8-methyltetradecane.
What is the SMILES notation for azane;7-chloro-7-hexyl-8-methyltetradecane?
The canonical SMILES for azane;7-chloro-7-hexyl-8-methyltetradecane is CCCCCCC(C)C(Cl)(CCCCCC)CCCCCC.N.
What is the InChIKey of azane;7-chloro-7-hexyl-8-methyltetradecane?
The InChIKey is AAQDUCMOTNQNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43Cl.H3N/c1-5-8-11-14-17-20(4)21(22,18-15-12-9-6-2)19-16-13-10-7-3;/h20H,5-19H2,1-4H3;1H3.
What are the key properties of azane;7-chloro-7-hexyl-8-methyltetradecane?
azane;7-chloro-7-hexyl-8-methyltetradecane has a molecular weight of 348.06 g/mol, XLogP of 8.67, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;7-chloro-7-hexyl-8-methyltetradecane is sourced from PubChem (CID 88840314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).