1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol

C16H34N2O — CID 55094762

IUPAC1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol
SMILESCCCC1CCC(NCC)C(CN(C)CC(C)O)C1
InChIInChI=1S/C16H34N2O/c1-5-7-14-8-9-16(17-6-2)15(10-14)12-18(4)11-13(3)19/h13-17,19H,5-12H2,1-4H3
InChIKeySDXCZDWYDCROOI-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.49
Rot. Bonds8

About 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol

1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol (PubChem CID 55094762) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol
PubChem CID55094762
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol
SMILESCCCC1CCC(NCC)C(CN(C)CC(C)O)C1
InChIInChI=1S/C16H34N2O/c1-5-7-14-8-9-16(17-6-2)15(10-14)12-18(4)11-13(3)19/h13-17,19H,5-12H2,1-4H3
InChIKeySDXCZDWYDCROOI-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379507
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62610658
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-propylamino]ethanol
CID 62610162
2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 63493495
2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine
CID 63401306
N-methyl-2-[[methyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093934
2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
CID 63483809
2-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63494522
N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine
CID 113473890
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N,4-diethylcyclohexan-1-amine
CID 63493475
4-ethyl-N-methyl-2-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 62615381
N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol (CID 55094762) is 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol is CCCC1CCC(NCC)C(CN(C)CC(C)O)C1.
What is the InChIKey of 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol?
The InChIKey is SDXCZDWYDCROOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-7-14-8-9-16(17-6-2)15(10-14)12-18(4)11-13(3)19/h13-17,19H,5-12H2,1-4H3.
What are the key properties of 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol?
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol has a molecular weight of 270.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 55094762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).