4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine

C15H27N3 — CID 113381462

IUPAC4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine
SMILESCCCNc1cc(CNC(C)(C)C)cc(CC)n1
InChIInChI=1S/C15H27N3/c1-6-8-16-14-10-12(9-13(7-2)18-14)11-17-15(3,4)5/h9-10,17H,6-8,11H2,1-5H3,(H,16,18)
InChIKeyXVEHPBBKYVXNPC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.35
Rot. Bonds6

About 4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine

4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine (PubChem CID 113381462) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine
PubChem CID113381462
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine
SMILESCCCNc1cc(CNC(C)(C)C)cc(CC)n1
InChIInChI=1S/C15H27N3/c1-6-8-16-14-10-12(9-13(7-2)18-14)11-17-15(3,4)5/h9-10,17H,6-8,11H2,1-5H3,(H,16,18)
InChIKeyXVEHPBBKYVXNPC-UHFFFAOYSA-N
XLogP3.35
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(tert-butylamino)methyl]-6-ethyl-N,N-dimethylpyridin-2-amine
CID 113381303
2-butyl-6-ethyl-N-propylpyrimidin-4-amine
CID 79413331
2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine
CID 63484694
N-[[2-ethyl-6-(2-methylpentoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103285465
6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine
CID 62474013
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106205411
N,2-diethyl-6-(propylamino)pyridine-4-carboxamide
CID 113380952
6-ethyl-2-(4-ethylcyclohexyl)-N-propylpyrimidin-4-amine
CID 65390933
6-ethyl-N-propan-2-yl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 113381466
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 106378500
6-ethyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62190215

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine (CID 113381462) is 4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine is CCCNc1cc(CNC(C)(C)C)cc(CC)n1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine?
The InChIKey is XVEHPBBKYVXNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-8-16-14-10-12(9-13(7-2)18-14)11-17-15(3,4)5/h9-10,17H,6-8,11H2,1-5H3,(H,16,18).
What are the key properties of 4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine?
4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine is sourced from PubChem (CID 113381462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).