5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine

C16H27N3O — CID 80636298

IUPAC5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
SMILESCCOCCN(CC)c1ncc(CNC2CC2)cc1C
InChIInChI=1S/C16H27N3O/c1-4-19(8-9-20-5-2)16-13(3)10-14(12-18-16)11-17-15-6-7-15/h10,12,15,17H,4-9,11H2,1-3H3
InChIKeyZABAOTXZYMRQKQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.50
Rot. Bonds9

About 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine

5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine (PubChem CID 80636298) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
PubChem CID80636298
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
SMILESCCOCCN(CC)c1ncc(CNC2CC2)cc1C
InChIInChI=1S/C16H27N3O/c1-4-19(8-9-20-5-2)16-13(3)10-14(12-18-16)11-17-15-6-7-15/h10,12,15,17H,4-9,11H2,1-3H3
InChIKeyZABAOTXZYMRQKQ-UHFFFAOYSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.50
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-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N,3-dimethylpyridin-2-amine
CID 81057209
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
CID 80637533
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
CID 63692128
[6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
CID 80629506
N-cyclopropyl-5-[(cyclopropylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80630811
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80630395
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine
CID 80632919
1-[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 80630791
N-cyclopropyl-5-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80637515
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 80630227
3-chloro-5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63941049
N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629655

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine (CID 80636298) is 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine is CCOCCN(CC)c1ncc(CNC2CC2)cc1C.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine?
The InChIKey is ZABAOTXZYMRQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-19(8-9-20-5-2)16-13(3)10-14(12-18-16)11-17-15-6-7-15/h10,12,15,17H,4-9,11H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine?
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine is sourced from PubChem (CID 80636298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).