3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol

C23H47NO2 — CID 140539850

IUPAC3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol
SMILESCC(C)CCCCCCCNCCC(CCO)(CCO)C1CCCCC1
InChIInChI=1S/C23H47NO2/c1-21(2)11-7-4-3-5-10-17-24-18-14-23(15-19-25,16-20-26)22-12-8-6-9-13-22/h21-22,24-26H,3-20H2,1-2H3
InChIKeyUZJWLVNSHJBYFL-UHFFFAOYSA-N
MW369.63 g/mol
LogP5.29
Rot. Bonds16

About 3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol

3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol (PubChem CID 140539850) has the molecular formula C23H47NO2 and a molecular weight of 369.63 g/mol. Its IUPAC name is 3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol.

Molecular Properties

Compound Name3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol
PubChem CID140539850
Molecular FormulaC23H47NO2
Molecular Weight369.63 g/mol
Exact Mass369.36
IUPAC Name3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol
SMILESCC(C)CCCCCCCNCCC(CCO)(CCO)C1CCCCC1
InChIInChI=1S/C23H47NO2/c1-21(2)11-7-4-3-5-10-17-24-18-14-23(15-19-25,16-20-26)22-12-8-6-9-13-22/h21-22,24-26H,3-20H2,1-2H3
InChIKeyUZJWLVNSHJBYFL-UHFFFAOYSA-N
XLogP5.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(7-methyloctyl)cyclooctanamine
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N-(cyclohexylmethyl)-4-methylpentan-1-amine
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CID 80553700
7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine
CID 103604979
[2-[(4-methylpentylamino)methyl]cyclohexyl]methanol
CID 83156139
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
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CID 158287107

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol?
The IUPAC name of 3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol (CID 140539850) is 3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol.
What is the SMILES notation for 3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol?
The canonical SMILES for 3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol is CC(C)CCCCCCCNCCC(CCO)(CCO)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol?
The InChIKey is UZJWLVNSHJBYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO2/c1-21(2)11-7-4-3-5-10-17-24-18-14-23(15-19-25,16-20-26)22-12-8-6-9-13-22/h21-22,24-26H,3-20H2,1-2H3.
What are the key properties of 3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol?
3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol has a molecular weight of 369.63 g/mol, XLogP of 5.29, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[2-(8-methylnonylamino)ethyl]pentane-1,5-diol is sourced from PubChem (CID 140539850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).