[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol

C15H32N2O — CID 79634231

IUPAC[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
SMILESCCCCN(C)C1CCCC(CO)(NCCC)C1
InChIInChI=1S/C15H32N2O/c1-4-6-11-17(3)14-8-7-9-15(12-14,13-18)16-10-5-2/h14,16,18H,4-13H2,1-3H3
InChIKeyOPHKBBOYQCHZGU-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.39
Rot. Bonds8

About [3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol

[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol (PubChem CID 79634231) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is [3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
PubChem CID79634231
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
SMILESCCCCN(C)C1CCCC(CO)(NCCC)C1
InChIInChI=1S/C15H32N2O/c1-4-6-11-17(3)14-8-7-9-15(12-14,13-18)16-10-5-2/h14,16,18H,4-13H2,1-3H3
InChIKeyOPHKBBOYQCHZGU-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol (CID 79634231) is [3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol is CCCCN(C)C1CCCC(CO)(NCCC)C1.
What is the InChIKey of [3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol?
The InChIKey is OPHKBBOYQCHZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-6-11-17(3)14-8-7-9-15(12-14,13-18)16-10-5-2/h14,16,18H,4-13H2,1-3H3.
What are the key properties of [3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol?
[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol has a molecular weight of 256.43 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79634231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).