N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine

C15H23N3O2 — CID 82942538

IUPACN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNC(c1ccco1)c1nccn1C
InChIInChI=1S/C15H23N3O2/c1-3-10-19-11-5-7-16-14(13-6-4-12-20-13)15-17-8-9-18(15)2/h4,6,8-9,12,14,16H,3,5,7,10-11H2,1-2H3
InChIKeyPRDZYSOLAUDTES-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.51
Rot. Bonds9

About N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine (PubChem CID 82942538) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine
PubChem CID82942538
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNC(c1ccco1)c1nccn1C
InChIInChI=1S/C15H23N3O2/c1-3-10-19-11-5-7-16-14(13-6-4-12-20-13)15-17-8-9-18(15)2/h4,6,8-9,12,14,16H,3,5,7,10-11H2,1-2H3
InChIKeyPRDZYSOLAUDTES-UHFFFAOYSA-N
XLogP2.51
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43770887
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020764
2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 43767473
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 54931888
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427266
N-[(1-ethylimidazol-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 61315206
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
CID 61463674
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide
CID 43781268
3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol
CID 106114847

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine?
The IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine (CID 82942538) is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine.
What is the SMILES notation for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine?
The canonical SMILES for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine is CCCOCCCNC(c1ccco1)c1nccn1C.
What is the InChIKey of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine?
The InChIKey is PRDZYSOLAUDTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-10-19-11-5-7-16-14(13-6-4-12-20-13)15-17-8-9-18(15)2/h4,6,8-9,12,14,16H,3,5,7,10-11H2,1-2H3.
What are the key properties of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine?
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine is sourced from PubChem (CID 82942538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).