azane;2-chloropentadecane

C15H34ClN — CID 88746937

IUPACazane;2-chloropentadecane
SMILESCCCCCCCCCCCCCC(C)Cl.N
InChIInChI=1S/C15H31Cl.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16;/h15H,3-14H2,1-2H3;1H3
InChIKeyIQJVPWUNXBYFQX-UHFFFAOYSA-N
MW263.90 g/mol
LogP6.48
Rot. Bonds12

About azane;2-chloropentadecane

azane;2-chloropentadecane (PubChem CID 88746937) has the molecular formula C15H34ClN and a molecular weight of 263.90 g/mol. Its IUPAC name is azane;2-chloropentadecane.

Molecular Properties

Compound Nameazane;2-chloropentadecane
PubChem CID88746937
Molecular FormulaC15H34ClN
Molecular Weight263.90 g/mol
Exact Mass263.24
IUPAC Nameazane;2-chloropentadecane
SMILESCCCCCCCCCCCCCC(C)Cl.N
InChIInChI=1S/C15H31Cl.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16;/h15H,3-14H2,1-2H3;1H3
InChIKeyIQJVPWUNXBYFQX-UHFFFAOYSA-N
XLogP6.48
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.90
LogP ≤ 56.48
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

azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride
CID 173206707
2-chlorododecan-5-ol
CID 173403763
N-(4-chloropentyl)nonan-1-amine
CID 106121562
2-chloro-4-methyldecane
CID 64720351
2-chloro-4-methylhexadecane
CID 64720574
17-chlorotritriacontane
CID 87852962
1,1-dichloroheptane
CID 13184
2-chloro-9-methyldecane
CID 174557182
azane;2-methyloctadecane
CID 175414560
3-chloro-2-methyltetradecane
CID 63459285
2,6-dichloro-6-methyldodecane
CID 175075248
2-chloro-6-methylidenedodecane
CID 139337956

Frequently Asked Questions

What is the IUPAC name of azane;2-chloropentadecane?
The IUPAC name of azane;2-chloropentadecane (CID 88746937) is azane;2-chloropentadecane.
What is the SMILES notation for azane;2-chloropentadecane?
The canonical SMILES for azane;2-chloropentadecane is CCCCCCCCCCCCCC(C)Cl.N.
What is the InChIKey of azane;2-chloropentadecane?
The InChIKey is IQJVPWUNXBYFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31Cl.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16;/h15H,3-14H2,1-2H3;1H3.
What are the key properties of azane;2-chloropentadecane?
azane;2-chloropentadecane has a molecular weight of 263.90 g/mol, XLogP of 6.48, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-chloropentadecane is sourced from PubChem (CID 88746937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).