N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine

C15H23N3O — CID 55133657

IUPACN-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nccn1Cc1occc1CNCC(C)C
InChIInChI=1S/C15H23N3O/c1-4-15-17-6-7-18(15)11-14-13(5-8-19-14)10-16-9-12(2)3/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyJZUMQHLWSGHVIK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.83
Rot. Bonds7

About N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55133657) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID55133657
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nccn1Cc1occc1CNCC(C)C
InChIInChI=1S/C15H23N3O/c1-4-15-17-6-7-18(15)11-14-13(5-8-19-14)10-16-9-12(2)3/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyJZUMQHLWSGHVIK-UHFFFAOYSA-N
XLogP2.83
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62441385
N-[[1-[(5-ethylthiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402303
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417686
N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62442166
N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 114103033
2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114540092
2-methyl-N-[[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413247
N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107307271
N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 83221234
2-methyl-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66401706
2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
CID 83158054
N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63619462

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine (CID 55133657) is N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine is CCc1nccn1Cc1occc1CNCC(C)C.
What is the InChIKey of N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is JZUMQHLWSGHVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-15-17-6-7-18(15)11-14-13(5-8-19-14)10-16-9-12(2)3/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55133657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).