N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

C15H27N3O — CID 79312495

IUPACN-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCNCc1cc(CN(C)CC2CCCN2C)oc1C
InChIInChI=1S/C15H27N3O/c1-12-13(9-16-2)8-15(19-12)11-17(3)10-14-6-5-7-18(14)4/h8,14,16H,5-7,9-11H2,1-4H3
InChIKeySEHAIDFMAVREAV-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.83
Rot. Bonds6

About N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (PubChem CID 79312495) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
PubChem CID79312495
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCNCc1cc(CN(C)CC2CCCN2C)oc1C
InChIInChI=1S/C15H27N3O/c1-12-13(9-16-2)8-15(19-12)11-17(3)10-14-6-5-7-18(14)4/h8,14,16H,5-7,9-11H2,1-4H3
InChIKeySEHAIDFMAVREAV-UHFFFAOYSA-N
XLogP1.83
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 79312711
N-methyl-1-[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]furan-2-yl]methanamine
CID 65468080
N,N,N'-trimethyl-N'-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 55228334
1-cyclopropyl-N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]methanamine
CID 62427462
N-methyl-1-[2-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]furan-3-yl]methanamine
CID 62463336
2-methyl-N-[[5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79311221
2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine
CID 55073567
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-1-(oxan-3-yl)methanamine
CID 55225871
N-[[2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-3-yl]methyl]ethanamine
CID 62435009
N-ethyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62421832
4-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982815
1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 104692338

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (CID 79312495) is N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is CNCc1cc(CN(C)CC2CCCN2C)oc1C.
What is the InChIKey of N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The InChIKey is SEHAIDFMAVREAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-13(9-16-2)8-15(19-12)11-17(3)10-14-6-5-7-18(14)4/h8,14,16H,5-7,9-11H2,1-4H3.
What are the key properties of N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine has a molecular weight of 265.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 79312495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).