3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine

C16H27N3 — CID 81247877

IUPAC3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine
SMILESCCC(C)CN(CC)c1ccncc1CNC1CC1
InChIInChI=1S/C16H27N3/c1-4-13(3)12-19(5-2)16-8-9-17-10-14(16)11-18-15-6-7-15/h8-10,13,15,18H,4-7,11-12H2,1-3H3
InChIKeyYMZBFUPGRQDDQL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.21
Rot. Bonds8

About 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine

3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine (PubChem CID 81247877) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine
PubChem CID81247877
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine
SMILESCCC(C)CN(CC)c1ccncc1CNC1CC1
InChIInChI=1S/C16H27N3/c1-4-13(3)12-19(5-2)16-8-9-17-10-14(16)11-18-15-6-7-15/h8-10,13,15,18H,4-7,11-12H2,1-3H3
InChIKeyYMZBFUPGRQDDQL-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine (CID 81247877) is 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine is CCC(C)CN(CC)c1ccncc1CNC1CC1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine?
The InChIKey is YMZBFUPGRQDDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-13(3)12-19(5-2)16-8-9-17-10-14(16)11-18-15-6-7-15/h8-10,13,15,18H,4-7,11-12H2,1-3H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine?
3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine is sourced from PubChem (CID 81247877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).