5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine

C17H31N3 — CID 79492000

IUPAC5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCNCc1ccc(N(CC(C)C)C(CC)CC)nc1
InChIInChI=1S/C17H31N3/c1-6-16(7-2)20(13-14(4)5)17-10-9-15(12-19-17)11-18-8-3/h9-10,12,14,16,18H,6-8,11,13H2,1-5H3
InChIKeyMGBVEIDQSAZJKO-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.84
Rot. Bonds9

About 5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine

5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine (PubChem CID 79492000) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
PubChem CID79492000
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCNCc1ccc(N(CC(C)C)C(CC)CC)nc1
InChIInChI=1S/C17H31N3/c1-6-16(7-2)20(13-14(4)5)17-10-9-15(12-19-17)11-18-8-3/h9-10,12,14,16,18H,6-8,11,13H2,1-5H3
InChIKeyMGBVEIDQSAZJKO-UHFFFAOYSA-N
XLogP3.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine (CID 79492000) is 5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine is CCNCc1ccc(N(CC(C)C)C(CC)CC)nc1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
The InChIKey is MGBVEIDQSAZJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-16(7-2)20(13-14(4)5)17-10-9-15(12-19-17)11-18-8-3/h9-10,12,14,16,18H,6-8,11,13H2,1-5H3.
What are the key properties of 5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 79492000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).