N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine

C16H29N3O — CID 80628897

IUPACN-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
SMILESCCCCN(CC)c1ncc(CNCCOC)cc1C
InChIInChI=1S/C16H29N3O/c1-5-7-9-19(6-2)16-14(3)11-15(13-18-16)12-17-8-10-20-4/h11,13,17H,5-10,12H2,1-4H3
InChIKeyCSHGYILGORODDN-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.75
Rot. Bonds10

About N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine

N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine (PubChem CID 80628897) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
PubChem CID80628897
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
SMILESCCCCN(CC)c1ncc(CNCCOC)cc1C
InChIInChI=1S/C16H29N3O/c1-5-7-9-19(6-2)16-14(3)11-15(13-18-16)12-17-8-10-20-4/h11,13,17H,5-10,12H2,1-4H3
InChIKeyCSHGYILGORODDN-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.75
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-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80636301
N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629655
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80632816
N'-ethyl-N'-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102995270
5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine
CID 80629812
N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631971
N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831
N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
CID 63058733
N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629872
N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine
CID 80631236
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
CID 80629864
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62295498

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine?
The IUPAC name of N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine (CID 80628897) is N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine is CCCCN(CC)c1ncc(CNCCOC)cc1C.
What is the InChIKey of N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine?
The InChIKey is CSHGYILGORODDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-7-9-19(6-2)16-14(3)11-15(13-18-16)12-17-8-10-20-4/h11,13,17H,5-10,12H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine?
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 80628897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).