azane;2-chloro-2-methyltridecane

C14H32ClN — CID 87093642

IUPACazane;2-chloro-2-methyltridecane
SMILESCCCCCCCCCCCC(C)(C)Cl.N
InChIInChI=1S/C14H29Cl.H3N/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15;/h4-13H2,1-3H3;1H3
InChIKeyBQQIYGQOYCFPNP-UHFFFAOYSA-N
MW249.87 g/mol
LogP6.09
Rot. Bonds10

About azane;2-chloro-2-methyltridecane

azane;2-chloro-2-methyltridecane (PubChem CID 87093642) has the molecular formula C14H32ClN and a molecular weight of 249.87 g/mol. Its IUPAC name is azane;2-chloro-2-methyltridecane.

Molecular Properties

Compound Nameazane;2-chloro-2-methyltridecane
PubChem CID87093642
Molecular FormulaC14H32ClN
Molecular Weight249.87 g/mol
Exact Mass249.22
IUPAC Nameazane;2-chloro-2-methyltridecane
SMILESCCCCCCCCCCCC(C)(C)Cl.N
InChIInChI=1S/C14H29Cl.H3N/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15;/h4-13H2,1-3H3;1H3
InChIKeyBQQIYGQOYCFPNP-UHFFFAOYSA-N
XLogP6.09
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.87
LogP ≤ 56.09
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

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9-(3-chloro-3-methylbutyl)heptadecan-9-amine
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2-chloro-2-methylhexane;cyclobutane
CID 175373010
azane;9-chloro-9-octyloctadecane;hydron
CID 22328165
11-chloro-11-decylpentacosane
CID 19690403
7-chloro-7-hexylheptadecane
CID 141000501
11-chloro-11-nonylhenicosane
CID 154304707
1,1,1-trichlorononane
CID 6420387
azane;2,2-dimethylundecane
CID 172735807
3-chloro-3-methyloctadecane
CID 158282272

Frequently Asked Questions

What is the IUPAC name of azane;2-chloro-2-methyltridecane?
The IUPAC name of azane;2-chloro-2-methyltridecane (CID 87093642) is azane;2-chloro-2-methyltridecane.
What is the SMILES notation for azane;2-chloro-2-methyltridecane?
The canonical SMILES for azane;2-chloro-2-methyltridecane is CCCCCCCCCCCC(C)(C)Cl.N.
What is the InChIKey of azane;2-chloro-2-methyltridecane?
The InChIKey is BQQIYGQOYCFPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29Cl.H3N/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15;/h4-13H2,1-3H3;1H3.
What are the key properties of azane;2-chloro-2-methyltridecane?
azane;2-chloro-2-methyltridecane has a molecular weight of 249.87 g/mol, XLogP of 6.09, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-chloro-2-methyltridecane is sourced from PubChem (CID 87093642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).