azane;5-butyl-5-chloro-6-propyldecane

C17H38ClN — CID 88839354

IUPACazane;5-butyl-5-chloro-6-propyldecane
SMILESCCCCC(CCC)C(Cl)(CCCC)CCCC.N
InChIInChI=1S/C17H35Cl.H3N/c1-5-9-13-16(12-8-4)17(18,14-10-6-2)15-11-7-3;/h16H,5-15H2,1-4H3;1H3
InChIKeyDCJUJKCMGQYSFJ-UHFFFAOYSA-N
MW291.95 g/mol
LogP7.11
Rot. Bonds12

About azane;5-butyl-5-chloro-6-propyldecane

azane;5-butyl-5-chloro-6-propyldecane (PubChem CID 88839354) has the molecular formula C17H38ClN and a molecular weight of 291.95 g/mol. Its IUPAC name is azane;5-butyl-5-chloro-6-propyldecane.

Molecular Properties

Compound Nameazane;5-butyl-5-chloro-6-propyldecane
PubChem CID88839354
Molecular FormulaC17H38ClN
Molecular Weight291.95 g/mol
Exact Mass291.27
IUPAC Nameazane;5-butyl-5-chloro-6-propyldecane
SMILESCCCCC(CCC)C(Cl)(CCCC)CCCC.N
InChIInChI=1S/C17H35Cl.H3N/c1-5-9-13-16(12-8-4)17(18,14-10-6-2)15-11-7-3;/h16H,5-15H2,1-4H3;1H3
InChIKeyDCJUJKCMGQYSFJ-UHFFFAOYSA-N
XLogP7.11
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.95
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;9-butyl-8-chloro-8-heptylhexadecane
CID 88840241
azane;5-butyl-5-chloro-6-prop-2-enylhexadecane
CID 88835528
(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
CID 173157813
CID 87644352
CID 87644352
5,5-dibutyl-6-propyltetradecane
CID 151501472
3,3-dimethyl-4-propyloctane
CID 57491237
2-chloro-3-ethyl-2-methylheptane
CID 141208623
3-chloro-3-ethyl-2-methylheptane
CID 151352184
4-tert-butyl-6,6-dimethyldecane
CID 173185098
(5-butyl-6-propyltetradecan-5-yl)phosphane
CID 22596996
(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089
5-butyl-6-propylheptadecan-5-amine
CID 22597070

Frequently Asked Questions

What is the IUPAC name of azane;5-butyl-5-chloro-6-propyldecane?
The IUPAC name of azane;5-butyl-5-chloro-6-propyldecane (CID 88839354) is azane;5-butyl-5-chloro-6-propyldecane.
What is the SMILES notation for azane;5-butyl-5-chloro-6-propyldecane?
The canonical SMILES for azane;5-butyl-5-chloro-6-propyldecane is CCCCC(CCC)C(Cl)(CCCC)CCCC.N.
What is the InChIKey of azane;5-butyl-5-chloro-6-propyldecane?
The InChIKey is DCJUJKCMGQYSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35Cl.H3N/c1-5-9-13-16(12-8-4)17(18,14-10-6-2)15-11-7-3;/h16H,5-15H2,1-4H3;1H3.
What are the key properties of azane;5-butyl-5-chloro-6-propyldecane?
azane;5-butyl-5-chloro-6-propyldecane has a molecular weight of 291.95 g/mol, XLogP of 7.11, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-butyl-5-chloro-6-propyldecane is sourced from PubChem (CID 88839354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).