6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine

C33H66N2 — CID 118198658

IUPAC6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine
SMILESCCCC(C)C(CC)C(C)(C)C(CCCCCCCCC(C)C(C)(C)C1CCC=CC1N)N(C)C
InChIInChI=1S/C33H66N2/c1-11-21-26(3)28(12-2)33(7,8)31(35(9)10)25-18-16-14-13-15-17-22-27(4)32(5,6)29-23-19-20-24-30(29)34/h20,24,26-31H,11-19,21-23,25,34H2,1-10H3
InChIKeyVOXZZDSLYUNXDB-UHFFFAOYSA-N
MW490.91 g/mol
LogP9.48
Rot. Bonds18

About 6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine

6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine (PubChem CID 118198658) has the molecular formula C33H66N2 and a molecular weight of 490.91 g/mol. Its IUPAC name is 6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine
PubChem CID118198658
Molecular FormulaC33H66N2
Molecular Weight490.91 g/mol
Exact Mass490.52
IUPAC Name6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine
SMILESCCCC(C)C(CC)C(C)(C)C(CCCCCCCCC(C)C(C)(C)C1CCC=CC1N)N(C)C
InChIInChI=1S/C33H66N2/c1-11-21-26(3)28(12-2)33(7,8)31(35(9)10)25-18-16-14-13-15-17-22-27(4)32(5,6)29-23-19-20-24-30(29)34/h20,24,26-31H,11-19,21-23,25,34H2,1-10H3
InChIKeyVOXZZDSLYUNXDB-UHFFFAOYSA-N
XLogP9.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.91
LogP ≤ 59.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine?
The IUPAC name of 6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine (CID 118198658) is 6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine.
What is the SMILES notation for 6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine?
The canonical SMILES for 6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine is CCCC(C)C(CC)C(C)(C)C(CCCCCCCCC(C)C(C)(C)C1CCC=CC1N)N(C)C.
What is the InChIKey of 6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine?
The InChIKey is VOXZZDSLYUNXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66N2/c1-11-21-26(3)28(12-2)33(7,8)31(35(9)10)25-18-16-14-13-15-17-22-27(4)32(5,6)29-23-19-20-24-30(29)34/h20,24,26-31H,11-19,21-23,25,34H2,1-10H3.
What are the key properties of 6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine?
6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine has a molecular weight of 490.91 g/mol, XLogP of 9.48, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[12-(dimethylamino)-14-ethyl-2,3,13,13,15-pentamethyloctadecan-2-yl]cyclohex-2-en-1-amine is sourced from PubChem (CID 118198658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).