azane;1,3-dichloropentadecane

C15H36Cl2N2 — CID 87123860

IUPACazane;1,3-dichloropentadecane
SMILESCCCCCCCCCCCCC(Cl)CCCl.N.N
InChIInChI=1S/C15H30Cl2.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16;;/h15H,2-14H2,1H3;2*1H3
InChIKeyVWCSVDPRQDKUEG-UHFFFAOYSA-N
MW315.37 g/mol
LogP6.86
Rot. Bonds13

About azane;1,3-dichloropentadecane

azane;1,3-dichloropentadecane (PubChem CID 87123860) has the molecular formula C15H36Cl2N2 and a molecular weight of 315.37 g/mol. Its IUPAC name is azane;1,3-dichloropentadecane.

Molecular Properties

Compound Nameazane;1,3-dichloropentadecane
PubChem CID87123860
Molecular FormulaC15H36Cl2N2
Molecular Weight315.37 g/mol
Exact Mass314.23
IUPAC Nameazane;1,3-dichloropentadecane
SMILESCCCCCCCCCCCCC(Cl)CCCl.N.N
InChIInChI=1S/C15H30Cl2.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16;;/h15H,2-14H2,1H3;2*1H3
InChIKeyVWCSVDPRQDKUEG-UHFFFAOYSA-N
XLogP6.86
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.37
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

17-chlorotritriacontane
CID 87852962
4-chloropentadecane
CID 63459834
4-chlorotridecane
CID 63460920
12-chlorooctacosane;N-methylmethanamine
CID 122611467
9-chlorohexacosane;N-methylmethanamine
CID 122613288
(2S)-1,2-dichlorododecane
CID 98052710
1,5-dichlorononane
CID 57182000
3-chlorohenicosane
CID 87067964
3-chlorohexadecane
CID 63459281
1,3-dichloro-5-iodoundecane
CID 122583671
1-bromo-3-chloropentadecane
CID 122583656
(3R)-1-chlorooctan-3-amine
CID 102206796

Frequently Asked Questions

What is the IUPAC name of azane;1,3-dichloropentadecane?
The IUPAC name of azane;1,3-dichloropentadecane (CID 87123860) is azane;1,3-dichloropentadecane.
What is the SMILES notation for azane;1,3-dichloropentadecane?
The canonical SMILES for azane;1,3-dichloropentadecane is CCCCCCCCCCCCC(Cl)CCCl.N.N.
What is the InChIKey of azane;1,3-dichloropentadecane?
The InChIKey is VWCSVDPRQDKUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30Cl2.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16;;/h15H,2-14H2,1H3;2*1H3.
What are the key properties of azane;1,3-dichloropentadecane?
azane;1,3-dichloropentadecane has a molecular weight of 315.37 g/mol, XLogP of 6.86, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,3-dichloropentadecane is sourced from PubChem (CID 87123860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).