N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine

C14H22N4O — CID 63026364

IUPACN-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1CN(C)Cc1nccn1C
InChIInChI=1S/C14H22N4O/c1-4-15-9-13-12(5-8-19-13)10-17(2)11-14-16-6-7-18(14)3/h5-8,15H,4,9-11H2,1-3H3
InChIKeyKECUEVPICKIQPU-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.75
Rot. Bonds7

About N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine

N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine (PubChem CID 63026364) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
PubChem CID63026364
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1CN(C)Cc1nccn1C
InChIInChI=1S/C14H22N4O/c1-4-15-9-13-12(5-8-19-13)10-17(2)11-14-16-6-7-18(14)3/h5-8,15H,4,9-11H2,1-3H3
InChIKeyKECUEVPICKIQPU-UHFFFAOYSA-N
XLogP1.75
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-bromo-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]ethanamine
CID 102770892
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
CID 62426653
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]ethanamine
CID 62438666
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 82979591
N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025130
2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103251735
N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
CID 62461191
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696333
N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62419327
[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144419
2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 112616300

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine (CID 63026364) is N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine is CCNCc1occc1CN(C)Cc1nccn1C.
What is the InChIKey of N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is KECUEVPICKIQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-15-9-13-12(5-8-19-13)10-17(2)11-14-16-6-7-18(14)3/h5-8,15H,4,9-11H2,1-3H3.
What are the key properties of N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine?
N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 262.36 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 63026364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).