Haliclorensin C

C16H33N — CID 45379848

IUPAC(3S)-3-methyl-azacyclohexadecane
SMILESC[C@H]1CCCCCCCCCCCCCNC1
InChIInChI=1S/C16H33N/c1-16-13-11-9-7-5-3-2-4-6-8-10-12-14-17-15-16/h16-17H,2-15H2,1H3/t16-/m0/s1
InChIKeyBOCVLEJSICULOK-INIZCTEOSA-N
MW239.44 g/mol
LogP6.30
Rot. Bonds

About Haliclorensin C

Haliclorensin C (PubChem CID 45379848) has the molecular formula C16H33N and a molecular weight of 239.44 g/mol. Its IUPAC name is (3S)-3-methyl-azacyclohexadecane.

Molecular Properties

Compound NameHaliclorensin C
PubChem CID45379848
Molecular FormulaC16H33N
Molecular Weight239.44 g/mol
Exact Mass239.26
IUPAC Name(3S)-3-methyl-azacyclohexadecane
SMILESC[C@H]1CCCCCCCCCCCCCNC1
InChIInChI=1S/C16H33N/c1-16-13-11-9-7-5-3-2-4-6-8-10-12-14-17-15-16/h16-17H,2-15H2,1H3/t16-/m0/s1
InChIKeyBOCVLEJSICULOK-INIZCTEOSA-N
XLogP6.30
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity156

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.44
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(2-ethylhexyl)amine
CID 7791
Dioctylamine
CID 3094
Octamylamine
CID 10406
Ditridecylamine
CID 22200
Iproheptine
CID 19917
Didodecylamine
CID 18157
Dimyristylamine
CID 87077
Didecylamine
CID 14261
Diundecylamine
CID 519223
N1-[3-[(Cycloheptylmethyl)amino]propyl]-N3-[3-(ethylamino)propyl]-1,3-propanediamine
CID 9797429
(5-Cyclohexyl-pentyl)-methyl-amine
CID 18790250
Dinonylamine
CID 94761

Frequently Asked Questions

What is the IUPAC name of Haliclorensin C?
The IUPAC name of Haliclorensin C (CID 45379848) is (3S)-3-methyl-azacyclohexadecane.
What is the SMILES notation for Haliclorensin C?
The canonical SMILES for Haliclorensin C is C[C@H]1CCCCCCCCCCCCCNC1.
What is the InChIKey of Haliclorensin C?
The InChIKey is BOCVLEJSICULOK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H33N/c1-16-13-11-9-7-5-3-2-4-6-8-10-12-14-17-15-16/h16-17H,2-15H2,1H3/t16-/m0/s1.
What are the key properties of Haliclorensin C?
Haliclorensin C has a molecular weight of 239.44 g/mol, XLogP of 6.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Haliclorensin C is sourced from PubChem (CID 45379848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).