N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine

C17H29N3O — CID 80632112

IUPACN-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
SMILESCCN(c1ccc(CNCCOC)cn1)C1CCCCC1
InChIInChI=1S/C17H29N3O/c1-3-20(16-7-5-4-6-8-16)17-10-9-15(14-19-17)13-18-11-12-21-2/h9-10,14,16,18H,3-8,11-13H2,1-2H3
InChIKeyLLXBNNNEDUWTBS-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.98
Rot. Bonds8

About N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine

N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine (PubChem CID 80632112) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
PubChem CID80632112
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
SMILESCCN(c1ccc(CNCCOC)cn1)C1CCCCC1
InChIInChI=1S/C17H29N3O/c1-3-20(16-7-5-4-6-8-16)17-10-9-15(14-19-17)13-18-11-12-21-2/h9-10,14,16,18H,3-8,11-13H2,1-2H3
InChIKeyLLXBNNNEDUWTBS-UHFFFAOYSA-N
XLogP2.98
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-ethyl-5-(propylaminomethyl)pyridin-2-amine
CID 62279551
N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80628259
N-cyclopentyl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 62281128
2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 102633012
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 80632155
N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 63059852
N-cyclopropyl-N-ethyl-5-(methylaminomethyl)pyridin-2-amine
CID 62279376
5-(2-aminoethyl)-N-cyclohexyl-N-ethylpyridin-2-amine
CID 80633648
N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62751285
N-cyclopropyl-N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62295141
2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol
CID 80629638
N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059978

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine (CID 80632112) is N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine is CCN(c1ccc(CNCCOC)cn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine?
The InChIKey is LLXBNNNEDUWTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-20(16-7-5-4-6-8-16)17-10-9-15(14-19-17)13-18-11-12-21-2/h9-10,14,16,18H,3-8,11-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine?
N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 80632112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).