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

C17H36N2O — CID 79379507

IUPAC1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol
SMILESCCCC1CCC(NCC)C(CN(C)CC(C)(C)O)C1
InChIInChI=1S/C17H36N2O/c1-6-8-14-9-10-16(18-7-2)15(11-14)12-19(5)13-17(3,4)20/h14-16,18,20H,6-13H2,1-5H3
InChIKeyQUTYXMOVDWFXFT-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.88
Rot. Bonds8

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

1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol (PubChem CID 79379507) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol
PubChem CID79379507
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol
SMILESCCCC1CCC(NCC)C(CN(C)CC(C)(C)O)C1
InChIInChI=1S/C17H36N2O/c1-6-8-14-9-10-16(18-7-2)15(11-14)12-19(5)13-17(3,4)20/h14-16,18,20H,6-13H2,1-5H3
InChIKeyQUTYXMOVDWFXFT-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol
CID 55094762
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-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
N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 62616762
2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610825
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63493665
N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63274181

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol (CID 79379507) is 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol is CCCC1CCC(NCC)C(CN(C)CC(C)(C)O)C1.
What is the InChIKey of 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is QUTYXMOVDWFXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-8-14-9-10-16(18-7-2)15(11-14)12-19(5)13-17(3,4)20/h14-16,18,20H,6-13H2,1-5H3.
What are the key properties of 1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol?
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 284.49 g/mol, XLogP of 2.88, 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]-2-methylpropan-2-ol is sourced from PubChem (CID 79379507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).