2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine

C16H27N3O — CID 79244339

IUPAC2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(CN(CCOC)C(C)C2CC2)c1
InChIInChI=1S/C16H27N3O/c1-4-17-15-7-8-18-16(11-15)12-19(9-10-20-3)13(2)14-5-6-14/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3,(H,17,18)
InChIKeyBWZRYLSHQRFBNF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.76
Rot. Bonds9

About 2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine

2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine (PubChem CID 79244339) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine
PubChem CID79244339
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(CN(CCOC)C(C)C2CC2)c1
InChIInChI=1S/C16H27N3O/c1-4-17-15-7-8-18-16(11-15)12-19(9-10-20-3)13(2)14-5-6-14/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3,(H,17,18)
InChIKeyBWZRYLSHQRFBNF-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine?
The IUPAC name of 2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine (CID 79244339) is 2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine.
What is the SMILES notation for 2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine?
The canonical SMILES for 2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine is CCNc1ccnc(CN(CCOC)C(C)C2CC2)c1.
What is the InChIKey of 2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine?
The InChIKey is BWZRYLSHQRFBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-17-15-7-8-18-16(11-15)12-19(9-10-20-3)13(2)14-5-6-14/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3,(H,17,18).
What are the key properties of 2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine?
2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine is sourced from PubChem (CID 79244339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).