4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol

C16H26N2O — CID 65118345

IUPAC4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCCc2cccnc2)CC1
InChIInChI=1S/C16H26N2O/c1-2-14-5-8-16(19,9-6-14)13-18-11-7-15-4-3-10-17-12-15/h3-4,10,12,14,18-19H,2,5-9,11,13H2,1H3
InChIKeyMWSUWKDGZXENMU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.55
Rot. Bonds6

About 4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol

4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol (PubChem CID 65118345) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol
PubChem CID65118345
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCCc2cccnc2)CC1
InChIInChI=1S/C16H26N2O/c1-2-14-5-8-16(19,9-6-14)13-18-11-7-15-4-3-10-17-12-15/h3-4,10,12,14,18-19H,2,5-9,11,13H2,1H3
InChIKeyMWSUWKDGZXENMU-UHFFFAOYSA-N
XLogP2.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640
N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine
CID 63823125
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol
CID 65116152
1-[[(5-bromo-3-pyridinyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 104796981
N-[(2-methylthiolan-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 80722313
4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol
CID 65117177
N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine
CID 63265124
4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol
CID 65118737
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine
CID 54880947
N-ethyl-1-(4-ethylcyclohexyl)-3-pyridin-3-ylpropan-1-amine
CID 105155347

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol (CID 65118345) is 4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol is CCC1CCC(O)(CNCCc2cccnc2)CC1.
What is the InChIKey of 4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol?
The InChIKey is MWSUWKDGZXENMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-14-5-8-16(19,9-6-14)13-18-11-7-15-4-3-10-17-12-15/h3-4,10,12,14,18-19H,2,5-9,11,13H2,1H3.
What are the key properties of 4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol?
4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).