[4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine

C21H28N2O3 — CID 23824329

IUPAC[4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc3c(c2)OCO3)Cc2ccco2)CC1
InChIInChI=1S/C21H28N2O3/c22-11-16-3-5-17(6-4-16)12-23(14-19-2-1-9-24-19)13-18-7-8-20-21(10-18)26-15-25-20/h1-2,7-10,16-17H,3-6,11-15,22H2
InChIKeyFKQDTSZNVVDYEG-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.78
Rot. Bonds7

About [4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine

[4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine (PubChem CID 23824329) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is [4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
PubChem CID23824329
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name[4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc3c(c2)OCO3)Cc2ccco2)CC1
InChIInChI=1S/C21H28N2O3/c22-11-16-3-5-17(6-4-16)12-23(14-19-2-1-9-24-19)13-18-7-8-20-21(10-18)26-15-25-20/h1-2,7-10,16-17H,3-6,11-15,22H2
InChIKeyFKQDTSZNVVDYEG-UHFFFAOYSA-N
XLogP3.78
TPSA60.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine
CID 142934649
N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine
CID 142934657
3-[5-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol
CID 42838421
N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 39360616
3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
CID 38213350
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058880
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine
CID 159683167
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 5038218
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide
CID 42724557
1-(1,3-benzodioxol-5-ylmethyl)-3-tert-butyl-1-(furan-2-ylmethyl)urea
CID 42724338
N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840907

Frequently Asked Questions

What is the IUPAC name of [4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine (CID 23824329) is [4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine is NCC1CCC(CN(Cc2ccc3c(c2)OCO3)Cc2ccco2)CC1.
What is the InChIKey of [4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine?
The InChIKey is FKQDTSZNVVDYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c22-11-16-3-5-17(6-4-16)12-23(14-19-2-1-9-24-19)13-18-7-8-20-21(10-18)26-15-25-20/h1-2,7-10,16-17H,3-6,11-15,22H2.
What are the key properties of [4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine?
[4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine has a molecular weight of 356.47 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 23824329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).