N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

C16H25N3O — CID 62441385

IUPACN-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nccn1Cc1cc(C)c(CNCC(C)C)o1
InChIInChI=1S/C16H25N3O/c1-5-16-18-6-7-19(16)11-14-8-13(4)15(20-14)10-17-9-12(2)3/h6-8,12,17H,5,9-11H2,1-4H3
InChIKeyUHWABQXCHMWPQD-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.14
Rot. Bonds7

About N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62441385) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62441385
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nccn1Cc1cc(C)c(CNCC(C)C)o1
InChIInChI=1S/C16H25N3O/c1-5-16-18-6-7-19(16)11-14-8-13(4)15(20-14)10-17-9-12(2)3/h6-8,12,17H,5,9-11H2,1-4H3
InChIKeyUHWABQXCHMWPQD-UHFFFAOYSA-N
XLogP3.14
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 55133657
N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62439093
2-methyl-N-[[3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073324
N-[[1-[(5-ethylthiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402303
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66402097
2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62446258
N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073284
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55074830
2-methyl-N-[[3-methyl-5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445356
2-methyl-N-[[3-methyl-5-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]propan-1-amine
CID 81341208
2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453088
1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62442762

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (CID 62441385) is N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is CCc1nccn1Cc1cc(C)c(CNCC(C)C)o1.
What is the InChIKey of N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is UHWABQXCHMWPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-16-18-6-7-19(16)11-14-8-13(4)15(20-14)10-17-9-12(2)3/h6-8,12,17H,5,9-11H2,1-4H3.
What are the key properties of N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62441385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).