6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate

C34H67NO3 — CID 153353422

IUPAC6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate
SMILESCCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCCCC)C1CCCCC1O
InChIInChI=1S/C34H67NO3/c1-4-7-10-13-14-18-25-31(24-17-11-8-5-2)34(37)38-30-23-16-15-22-29-35(28-21-12-9-6-3)32-26-19-20-27-33(32)36/h31-33,36H,4-30H2,1-3H3
InChIKeyGAIOHCCAIDTZJC-UHFFFAOYSA-N
MW537.91 g/mol
LogP9.61
Rot. Bonds26

About 6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate

6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate (PubChem CID 153353422) has the molecular formula C34H67NO3 and a molecular weight of 537.91 g/mol. Its IUPAC name is 6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate.

Molecular Properties

Compound Name6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate
PubChem CID153353422
Molecular FormulaC34H67NO3
Molecular Weight537.91 g/mol
Exact Mass537.51
IUPAC Name6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate
SMILESCCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCCCC)C1CCCCC1O
InChIInChI=1S/C34H67NO3/c1-4-7-10-13-14-18-25-31(24-17-11-8-5-2)34(37)38-30-23-16-15-22-29-35(28-21-12-9-6-3)32-26-19-20-27-33(32)36/h31-33,36H,4-30H2,1-3H3
InChIKeyGAIOHCCAIDTZJC-UHFFFAOYSA-N
XLogP9.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.91
LogP ≤ 59.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-6-[6-[2-[(Z)-hex-1-enyl]decanoyloxy]hexyl-(2-hydroxycyclohexyl)amino]hex-3-enyl] 2-hexyldecanoate
CID 171541849
2-(dihexylamino)cyclohexan-1-ol
CID 139882524
tridecyl 2-hexadecylicosanoate
CID 159510432
decyl 2-octyltetradecanoate
CID 87368194
decyl 2-hexylpentadecanoate
CID 175318740
undecyl 2-heptyltridecanoate
CID 174740301
undecyl 2-heptyldodecanoate
CID 174658610
hexadecyl 2-hexylicosanoate
CID 87088758
decyl 2-hexyltetradecanoate
CID 57466026
octyl 2-butyldocosanoate
CID 174740469
germane;pentyl 2-pentylheptanoate
CID 173457558
tetradecyl 2-butylhexanoate
CID 91318887

Frequently Asked Questions

What is the IUPAC name of 6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate?
The IUPAC name of 6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate (CID 153353422) is 6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate.
What is the SMILES notation for 6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate?
The canonical SMILES for 6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate is CCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCCCC)C1CCCCC1O.
What is the InChIKey of 6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate?
The InChIKey is GAIOHCCAIDTZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H67NO3/c1-4-7-10-13-14-18-25-31(24-17-11-8-5-2)34(37)38-30-23-16-15-22-29-35(28-21-12-9-6-3)32-26-19-20-27-33(32)36/h31-33,36H,4-30H2,1-3H3.
What are the key properties of 6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate?
6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate has a molecular weight of 537.91 g/mol, XLogP of 9.61, 26 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hexyl-(2-hydroxycyclohexyl)amino]hexyl 2-hexyldecanoate is sourced from PubChem (CID 153353422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).