5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine

C17H25N3O — CID 80629852

IUPAC5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine
SMILESCCC(N)Cc1cnc(N(CC)Cc2ccco2)c(C)c1
InChIInChI=1S/C17H25N3O/c1-4-15(18)10-14-9-13(3)17(19-11-14)20(5-2)12-16-7-6-8-21-16/h6-9,11,15H,4-5,10,12,18H2,1-3H3
InChIKeyWEGNDQZNAKUREQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.29
Rot. Bonds7

About 5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine

5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine (PubChem CID 80629852) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine
PubChem CID80629852
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine
SMILESCCC(N)Cc1cnc(N(CC)Cc2ccco2)c(C)c1
InChIInChI=1S/C17H25N3O/c1-4-15(18)10-14-9-13(3)17(19-11-14)20(5-2)12-16-7-6-8-21-16/h6-9,11,15H,4-5,10,12,18H2,1-3H3
InChIKeyWEGNDQZNAKUREQ-UHFFFAOYSA-N
XLogP3.29
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine
CID 80638929
5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
CID 80630732
5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633578
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80896459
6-(1-aminopropyl)-N-ethyl-N-(furan-2-ylmethyl)pyridin-3-amine
CID 112584265
2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 114043650
5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 80630719
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 115416612
4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80795565
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine
CID 80629781

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine (CID 80629852) is 5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine is CCC(N)Cc1cnc(N(CC)Cc2ccco2)c(C)c1.
What is the InChIKey of 5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine?
The InChIKey is WEGNDQZNAKUREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-15(18)10-14-9-13(3)17(19-11-14)20(5-2)12-16-7-6-8-21-16/h6-9,11,15H,4-5,10,12,18H2,1-3H3.
What are the key properties of 5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine?
5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine is sourced from PubChem (CID 80629852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).