2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol

C18H38N2O — CID 63493495

IUPAC2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol
SMILESCCCCN(CCO)CC1CC(CCC)CCC1NCC
InChIInChI=1S/C18H38N2O/c1-4-7-11-20(12-13-21)15-17-14-16(8-5-2)9-10-18(17)19-6-3/h16-19,21H,4-15H2,1-3H3
InChIKeyOSTQEEIPXUQCAL-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.28
Rot. Bonds11

About 2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol

2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol (PubChem CID 63493495) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol
PubChem CID63493495
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol
SMILESCCCCN(CCO)CC1CC(CCC)CCC1NCC
InChIInChI=1S/C18H38N2O/c1-4-7-11-20(12-13-21)15-17-14-16(8-5-2)9-10-18(17)19-6-3/h16-19,21H,4-15H2,1-3H3
InChIKeyOSTQEEIPXUQCAL-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62610658
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-propylamino]ethanol
CID 62610162
2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610825
2-[ethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610130
2-[(2-amino-5-propylcyclohexyl)methyl-propylamino]ethanol
CID 62610160
2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 107486531
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol
CID 55094762
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379507
2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 62616762
2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol
CID 107486480
2-[cyclopropyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 55094432
2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine
CID 63401306

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol (CID 63493495) is 2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol is CCCCN(CCO)CC1CC(CCC)CCC1NCC.
What is the InChIKey of 2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol?
The InChIKey is OSTQEEIPXUQCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-4-7-11-20(12-13-21)15-17-14-16(8-5-2)9-10-18(17)19-6-3/h16-19,21H,4-15H2,1-3H3.
What are the key properties of 2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol?
2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol has a molecular weight of 298.51 g/mol, XLogP of 3.28, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 63493495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).