2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol

C16H27N3O2 — CID 102633012

IUPAC2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol
SMILESCOCCNCc1ccc(N(C)C2CCCCC2O)nc1
InChIInChI=1S/C16H27N3O2/c1-19(14-5-3-4-6-15(14)20)16-8-7-13(12-18-16)11-17-9-10-21-2/h7-8,12,14-15,17,20H,3-6,9-11H2,1-2H3
InChIKeyDYUOTZYVYBHDSQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.56
Rot. Bonds7

About 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol

2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol (PubChem CID 102633012) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol
PubChem CID102633012
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol
SMILESCOCCNCc1ccc(N(C)C2CCCCC2O)nc1
InChIInChI=1S/C16H27N3O2/c1-19(14-5-3-4-6-15(14)20)16-8-7-13(12-18-16)11-17-9-10-21-2/h7-8,12,14-15,17,20H,3-6,9-11H2,1-2H3
InChIKeyDYUOTZYVYBHDSQ-UHFFFAOYSA-N
XLogP1.56
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 80632155
N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80632112
N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80628259
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 80638766
N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80636019
5-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 80629841
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670459
N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine
CID 80632198
N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63630737
N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80632466
8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80638259
N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine
CID 80631236

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol (CID 102633012) is 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol is COCCNCc1ccc(N(C)C2CCCCC2O)nc1.
What is the InChIKey of 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol?
The InChIKey is DYUOTZYVYBHDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-19(14-5-3-4-6-15(14)20)16-8-7-13(12-18-16)11-17-9-10-21-2/h7-8,12,14-15,17,20H,3-6,9-11H2,1-2H3.
What are the key properties of 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol?
2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102633012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).