[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol

C18H38N2O — CID 79633811

IUPAC[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
SMILESCCCCN(CCCC)C1CCCC(CO)(NCCC)C1
InChIInChI=1S/C18H38N2O/c1-4-7-13-20(14-8-5-2)17-10-9-11-18(15-17,16-21)19-12-6-3/h17,19,21H,4-16H2,1-3H3
InChIKeyKATGIAQDANYIFG-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.56
Rot. Bonds11

About [3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol

[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol (PubChem CID 79633811) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is [3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
PubChem CID79633811
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
SMILESCCCCN(CCCC)C1CCCC(CO)(NCCC)C1
InChIInChI=1S/C18H38N2O/c1-4-7-13-20(14-8-5-2)17-10-9-11-18(15-17,16-21)19-12-6-3/h17,19,21H,4-16H2,1-3H3
InChIKeyKATGIAQDANYIFG-UHFFFAOYSA-N
XLogP3.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol (CID 79633811) is [3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol is CCCCN(CCCC)C1CCCC(CO)(NCCC)C1.
What is the InChIKey of [3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol?
The InChIKey is KATGIAQDANYIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-4-7-13-20(14-8-5-2)17-10-9-11-18(15-17,16-21)19-12-6-3/h17,19,21H,4-16H2,1-3H3.
What are the key properties of [3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol?
[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol has a molecular weight of 298.51 g/mol, XLogP of 3.56, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79633811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).