3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine

C21H27N3O2 — CID 26398138

IUPAC3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine
SMILESCN(c1ncccc1CNCc1cccc2c1OCO2)C1CCCCC1
InChIInChI=1S/C21H27N3O2/c1-24(18-9-3-2-4-10-18)21-17(8-6-12-23-21)14-22-13-16-7-5-11-19-20(16)26-15-25-19/h5-8,11-12,18,22H,2-4,9-10,13-15H2,1H3
InChIKeyXEYXIFVGOIBPIT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.87
Rot. Bonds6

About 3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine

3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine (PubChem CID 26398138) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine
PubChem CID26398138
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine
SMILESCN(c1ncccc1CNCc1cccc2c1OCO2)C1CCCCC1
InChIInChI=1S/C21H27N3O2/c1-24(18-9-3-2-4-10-18)21-17(8-6-12-23-21)14-22-13-16-7-5-11-19-20(16)26-15-25-19/h5-8,11-12,18,22H,2-4,9-10,13-15H2,1H3
InChIKeyXEYXIFVGOIBPIT-UHFFFAOYSA-N
XLogP3.87
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine
CID 42148071
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62285463
N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine
CID 42394037
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 56743989
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 42189481
N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 62279254
N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 43583510
N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine
CID 62634107
methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 56739674
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415496

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine?
The IUPAC name of 3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine (CID 26398138) is 3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine?
The canonical SMILES for 3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine is CN(c1ncccc1CNCc1cccc2c1OCO2)C1CCCCC1.
What is the InChIKey of 3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine?
The InChIKey is XEYXIFVGOIBPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-24(18-9-3-2-4-10-18)21-17(8-6-12-23-21)14-22-13-16-7-5-11-19-20(16)26-15-25-19/h5-8,11-12,18,22H,2-4,9-10,13-15H2,1H3.
What are the key properties of 3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine?
3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine has a molecular weight of 353.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine is sourced from PubChem (CID 26398138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).