N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine

C17H29N3O — CID 80631236

IUPACN-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine
SMILESCOCCNCc1cnc(N(C)C2CCCCC2)c(C)c1
InChIInChI=1S/C17H29N3O/c1-14-11-15(12-18-9-10-21-3)13-19-17(14)20(2)16-7-5-4-6-8-16/h11,13,16,18H,4-10,12H2,1-3H3
InChIKeyCEPNKUBGXWSGNY-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.89
Rot. Bonds7

About N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine

N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine (PubChem CID 80631236) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine
PubChem CID80631236
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine
SMILESCOCCNCc1cnc(N(C)C2CCCCC2)c(C)c1
InChIInChI=1S/C17H29N3O/c1-14-11-15(12-18-9-10-21-3)13-19-17(14)20(2)16-7-5-4-6-8-16/h11,13,16,18H,4-10,12H2,1-3H3
InChIKeyCEPNKUBGXWSGNY-UHFFFAOYSA-N
XLogP2.89
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.89
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

5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 80627987
5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 107079358
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80636301
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80632816
N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
CID 80630168
5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine
CID 80639174
N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80629363
N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80630602
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80628897
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80632112
N,3-dimethyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 80628377

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine?
The IUPAC name of N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine (CID 80631236) is N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine?
The canonical SMILES for N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine is COCCNCc1cnc(N(C)C2CCCCC2)c(C)c1.
What is the InChIKey of N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine?
The InChIKey is CEPNKUBGXWSGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14-11-15(12-18-9-10-21-3)13-19-17(14)20(2)16-7-5-4-6-8-16/h11,13,16,18H,4-10,12H2,1-3H3.
What are the key properties of N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine?
N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80631236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).