5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate

C30H60N2O3 — CID 169317552

IUPAC5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate
SMILESCCCCCCCCN(CCCCCCCC)C(=O)OCCCCCN(CCO)C1CCCCC1
InChIInChI=1S/C30H60N2O3/c1-3-5-7-9-11-17-24-32(25-18-12-10-8-6-4-2)30(34)35-28-20-14-19-23-31(26-27-33)29-21-15-13-16-22-29/h29,33H,3-28H2,1-2H3
InChIKeyCNKHONXOKVXJNN-UHFFFAOYSA-N
MW496.82 g/mol
LogP7.94
Rot. Bonds23

About 5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate

5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate (PubChem CID 169317552) has the molecular formula C30H60N2O3 and a molecular weight of 496.82 g/mol. Its IUPAC name is 5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate.

Molecular Properties

Compound Name5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate
PubChem CID169317552
Molecular FormulaC30H60N2O3
Molecular Weight496.82 g/mol
Exact Mass496.46
IUPAC Name5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate
SMILESCCCCCCCCN(CCCCCCCC)C(=O)OCCCCCN(CCO)C1CCCCC1
InChIInChI=1S/C30H60N2O3/c1-3-5-7-9-11-17-24-32(25-18-12-10-8-6-4-2)30(34)35-28-20-14-19-23-31(26-27-33)29-21-15-13-16-22-29/h29,33H,3-28H2,1-2H3
InChIKeyCNKHONXOKVXJNN-UHFFFAOYSA-N
XLogP7.94
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.82
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate 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

2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
octyl N,N-di(nonyl)carbamate
CID 168918776
octyl N,N-di(undecyl)carbamate
CID 168918683
2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 57213221
[6-[cyclobutyl-[2-[cycloheptyl(2-hydroxyethyl)amino]ethyl]amino]-2-(3-hexylundecanoyloxymethyl)hexyl] 3-hexylundecanoate
CID 168857923
pentyl N-cyclohexyl-N-methylcarbamate
CID 141208819
2-[cyclopentyl(4-methoxybutyl)amino]ethanol
CID 115679647
2-hexyldecyl 6-[cyclopentyl(2-hydroxyethyl)amino]hexanoate
CID 169317504
propyl N,N-diheptylcarbamate
CID 168918832
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
[6-[cyclobutyl(2-hydroxyethyl)amino]-2-(3-octylundecanoyloxymethyl)hexyl] 3-octylundecanoate
CID 168857952
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate?
The IUPAC name of 5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate (CID 169317552) is 5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate.
What is the SMILES notation for 5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate?
The canonical SMILES for 5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate is CCCCCCCCN(CCCCCCCC)C(=O)OCCCCCN(CCO)C1CCCCC1.
What is the InChIKey of 5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate?
The InChIKey is CNKHONXOKVXJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2O3/c1-3-5-7-9-11-17-24-32(25-18-12-10-8-6-4-2)30(34)35-28-20-14-19-23-31(26-27-33)29-21-15-13-16-22-29/h29,33H,3-28H2,1-2H3.
What are the key properties of 5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate?
5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate has a molecular weight of 496.82 g/mol, XLogP of 7.94, 23 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate is sourced from PubChem (CID 169317552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).