3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine

C16H21N3O — CID 81050858

IUPAC3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine
SMILESCc1cc(N(Cc2ccco2)C2CC2)c(CN)c(C)n1
InChIInChI=1S/C16H21N3O/c1-11-8-16(15(9-17)12(2)18-11)19(13-5-6-13)10-14-4-3-7-20-14/h3-4,7-8,13H,5-6,9-10,17H2,1-2H3
InChIKeyWVIHLJBSOXPILW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.92
Rot. Bonds5

About 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine

3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine (PubChem CID 81050858) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine
PubChem CID81050858
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine
SMILESCc1cc(N(Cc2ccco2)C2CC2)c(CN)c(C)n1
InChIInChI=1S/C16H21N3O/c1-11-8-16(15(9-17)12(2)18-11)19(13-5-6-13)10-14-4-3-7-20-14/h3-4,7-8,13H,5-6,9-10,17H2,1-2H3
InChIKeyWVIHLJBSOXPILW-UHFFFAOYSA-N
XLogP2.92
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline
CID 81299175
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
CID 66281069
4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbenzoic acid
CID 62120263
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80658148
[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol
CID 62122235
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 75460721
3-(aminomethyl)-N-(furan-2-ylmethyl)-N,4,6-trimethylpyridin-2-amine
CID 61176681
2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile
CID 107927277
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine
CID 115773896
2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
CID 63817438

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine (CID 81050858) is 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine is Cc1cc(N(Cc2ccco2)C2CC2)c(CN)c(C)n1.
What is the InChIKey of 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine?
The InChIKey is WVIHLJBSOXPILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-8-16(15(9-17)12(2)18-11)19(13-5-6-13)10-14-4-3-7-20-14/h3-4,7-8,13H,5-6,9-10,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine?
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine is sourced from PubChem (CID 81050858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).