5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine

C13H23N3 — CID 81248348

IUPAC5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine
SMILESCCCCN(CC)c1cc(C)ncc1CN
InChIInChI=1S/C13H23N3/c1-4-6-7-16(5-2)13-8-11(3)15-10-12(13)9-14/h8,10H,4-7,9,14H2,1-3H3
InChIKeyQAPOSPSHCWDERT-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.48
Rot. Bonds6

About 5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine

5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine (PubChem CID 81248348) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine
PubChem CID81248348
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine
SMILESCCCCN(CC)c1cc(C)ncc1CN
InChIInChI=1S/C13H23N3/c1-4-6-7-16(5-2)13-8-11(3)15-10-12(13)9-14/h8,10H,4-7,9,14H2,1-3H3
InChIKeyQAPOSPSHCWDERT-UHFFFAOYSA-N
XLogP2.48
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine?
The IUPAC name of 5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine (CID 81248348) is 5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine?
The canonical SMILES for 5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine is CCCCN(CC)c1cc(C)ncc1CN.
What is the InChIKey of 5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine?
The InChIKey is QAPOSPSHCWDERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-6-7-16(5-2)13-8-11(3)15-10-12(13)9-14/h8,10H,4-7,9,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine?
5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine is sourced from PubChem (CID 81248348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).