N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine

C21H25NO4 — CID 131945851

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine
SMILESc1cc2c(cc1CN(Cc1ccc(C3CCCCO3)o1)C1CC1)OCO2
InChIInChI=1S/C21H25NO4/c1-2-10-23-18(3-1)20-9-7-17(26-20)13-22(16-5-6-16)12-15-4-8-19-21(11-15)25-14-24-19/h4,7-9,11,16,18H,1-3,5-6,10,12-14H2
InChIKeySLWFPTKVKXFRDG-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.41
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine

N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 131945851) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine
PubChem CID131945851
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine
SMILESc1cc2c(cc1CN(Cc1ccc(C3CCCCO3)o1)C1CC1)OCO2
InChIInChI=1S/C21H25NO4/c1-2-10-23-18(3-1)20-9-7-17(26-20)13-22(16-5-6-16)12-15-4-8-19-21(11-15)25-14-24-19/h4,7-9,11,16,18H,1-3,5-6,10,12-14H2
InChIKeySLWFPTKVKXFRDG-UHFFFAOYSA-N
XLogP4.41
TPSA44.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine
CID 30588730
N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine
CID 56711474
4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-6,7-dimethylchromen-2-one
CID 34941219
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine
CID 120751745
5-(oxolan-2-yl)-1,3-benzodioxole
CID 10035471
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 50966435
2-[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)amino]acetic acid
CID 65058170
1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium
CID 4745321
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 42724635
ethyl 2-[1,3-benzodioxol-5-ylmethyl(cyclopropyl)amino]acetate
CID 62027413
N-[4-[[(4-aminocyclohexyl)-(1,3-benzodioxol-5-ylmethyl)amino]methyl]phenyl]acetamide
CID 23825297
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methylphenyl)methyl]oxane-2-carboxamide
CID 99948837

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine (CID 131945851) is N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine is c1cc2c(cc1CN(Cc1ccc(C3CCCCO3)o1)C1CC1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is SLWFPTKVKXFRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-2-10-23-18(3-1)20-9-7-17(26-20)13-22(16-5-6-16)12-15-4-8-19-21(11-15)25-14-24-19/h4,7-9,11,16,18H,1-3,5-6,10,12-14H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine?
N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 355.43 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 131945851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).