N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine

C16H27N3O2 — CID 63167944

IUPACN-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
SMILESCNCc1cc(CN2CCC(N3CCOCC3)C2)oc1C
InChIInChI=1S/C16H27N3O2/c1-13-14(10-17-2)9-16(21-13)12-18-4-3-15(11-18)19-5-7-20-8-6-19/h9,15,17H,3-8,10-12H2,1-2H3
InChIKeyHBQZKFMKPVPUJU-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.21
Rot. Bonds5

About N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine

N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine (PubChem CID 63167944) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
PubChem CID63167944
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
SMILESCNCc1cc(CN2CCC(N3CCOCC3)C2)oc1C
InChIInChI=1S/C16H27N3O2/c1-13-14(10-17-2)9-16(21-13)12-18-4-3-15(11-18)19-5-7-20-8-6-19/h9,15,17H,3-8,10-12H2,1-2H3
InChIKeyHBQZKFMKPVPUJU-UHFFFAOYSA-N
XLogP1.21
TPSA40.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 79183372
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-methylfuran-2-yl]-N-methylmethanamine
CID 79946048
1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62411604
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 115562245
N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine
CID 62973918
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62930821
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62417631
N-methyl-1-[2-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine
CID 79945685
N-methyl-1-[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methanamine
CID 62418078
N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine
CID 79917859
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62413294
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 63170170

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine (CID 63167944) is N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine is CNCc1cc(CN2CCC(N3CCOCC3)C2)oc1C.
What is the InChIKey of N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine?
The InChIKey is HBQZKFMKPVPUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13-14(10-17-2)9-16(21-13)12-18-4-3-15(11-18)19-5-7-20-8-6-19/h9,15,17H,3-8,10-12H2,1-2H3.
What are the key properties of N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine?
N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine has a molecular weight of 293.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 63167944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).