2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol

C13H28N2O — CID 62614770

IUPAC2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
SMILESCCCNC1CCCCC1CN(C)CCO
InChIInChI=1S/C13H28N2O/c1-3-8-14-13-7-5-4-6-12(13)11-15(2)9-10-16/h12-14,16H,3-11H2,1-2H3
InChIKeyGQKJVTOPGLIZTP-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds7

About 2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol

2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol (PubChem CID 62614770) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
PubChem CID62614770
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
SMILESCCCNC1CCCCC1CN(C)CCO
InChIInChI=1S/C13H28N2O/c1-3-8-14-13-7-5-4-6-12(13)11-15(2)9-10-16/h12-14,16H,3-11H2,1-2H3
InChIKeyGQKJVTOPGLIZTP-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62616036
2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63009366
2-[[2-methoxyethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62610889
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
2-[2-[[2-(ethylamino)cyclohexyl]methyl-methylamino]ethoxy]ethanol
CID 114243650
2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616700
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine
CID 105417254
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615673
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
2-[cyclobutyl-[[2-(ethylamino)cyclohexyl]methyl]amino]ethanol
CID 102871036
1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol
CID 79377489

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol (CID 62614770) is 2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol is CCCNC1CCCCC1CN(C)CCO.
What is the InChIKey of 2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol?
The InChIKey is GQKJVTOPGLIZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-8-14-13-7-5-4-6-12(13)11-15(2)9-10-16/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol?
2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 62614770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).