N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine

C15H23N3O — CID 62442166

IUPACN-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ncn(Cc2ccoc2CNCC(C)C)c1C
InChIInChI=1S/C15H23N3O/c1-11(2)7-16-8-15-14(5-6-19-15)9-18-10-17-12(3)13(18)4/h5-6,10-11,16H,7-9H2,1-4H3
InChIKeyDEVVSZZPCGPULC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds6

About N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine

N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62442166) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62442166
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ncn(Cc2ccoc2CNCC(C)C)c1C
InChIInChI=1S/C15H23N3O/c1-11(2)7-16-8-15-14(5-6-19-15)9-18-10-17-12(3)13(18)4/h5-6,10-11,16H,7-9H2,1-4H3
InChIKeyDEVVSZZPCGPULC-UHFFFAOYSA-N
XLogP2.89
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62449379
N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557823
N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62441010
N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106907444
N-[[3-[(2,5-dimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62431715
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62423949
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 55133657
N-[[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 103540003
3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 62351599
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417686
N-[[3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62446935

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (CID 62442166) is N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is Cc1ncn(Cc2ccoc2CNCC(C)C)c1C.
What is the InChIKey of N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is DEVVSZZPCGPULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)7-16-8-15-14(5-6-19-15)9-18-10-17-12(3)13(18)4/h5-6,10-11,16H,7-9H2,1-4H3.
What are the key properties of N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62442166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).