N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

C14H25N3O — CID 63274626

IUPACN-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCNCc1ccoc1CN(C)CC1CCN(C)C1
InChIInChI=1S/C14H25N3O/c1-15-8-13-5-7-18-14(13)11-17(3)10-12-4-6-16(2)9-12/h5,7,12,15H,4,6,8-11H2,1-3H3
InChIKeyIAQDQBBVKFOLML-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.38
Rot. Bonds6

About N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 63274626) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID63274626
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCNCc1ccoc1CN(C)CC1CCN(C)C1
InChIInChI=1S/C14H25N3O/c1-15-8-13-5-7-18-14(13)11-17(3)10-12-4-6-16(2)9-12/h5,7,12,15H,4,6,8-11H2,1-3H3
InChIKeyIAQDQBBVKFOLML-UHFFFAOYSA-N
XLogP1.38
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274761
2-methyl-N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 63274846
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63572264
N-[[2-[[cyclopropylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62426746
N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62854572
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62411488
N-[[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 79313218
N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62424649
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 63275779
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556812

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (CID 63274626) is N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is CNCc1ccoc1CN(C)CC1CCN(C)C1.
What is the InChIKey of N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is IAQDQBBVKFOLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-15-8-13-5-7-18-14(13)11-17(3)10-12-4-6-16(2)9-12/h5,7,12,15H,4,6,8-11H2,1-3H3.
What are the key properties of N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 251.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 63274626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).