N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine

C11H15N3O — CID 14712123

IUPACN-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine
SMILESc1coc(CNCCCc2cnc[nH]2)c1
InChIInChI=1S/C11H15N3O/c1(3-10-7-13-9-14-10)5-12-8-11-4-2-6-15-11/h2,4,6-7,9,12H,1,3,5,8H2,(H,13,14)
InChIKeyKOGQYKLHHMBXKP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.73
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine

N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine (PubChem CID 14712123) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine
PubChem CID14712123
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine
SMILESc1coc(CNCCCc2cnc[nH]2)c1
InChIInChI=1S/C11H15N3O/c1(3-10-7-13-9-14-10)5-12-8-11-4-2-6-15-11/h2,4,6-7,9,12H,1,3,5,8H2,(H,13,14)
InChIKeyKOGQYKLHHMBXKP-UHFFFAOYSA-N
XLogP1.73
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Kinetin
CID 3830
2-(furan-2-yl)-1H-imidazole
CID 665341
N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 3246788
2-Amino-8-[(furan-2-ylmethyl)-amino]-1,9-dihydro-purin-6-one
CID 136055831
4-(furan-2-yl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 21330731
N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 923826
Furan-2-ylmethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10514745
(6S)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
CID 53304361
(6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
CID 53304362
2-(furan-2-yl)-5-phenyl-1H-imidazole
CID 44589043
2-chloro-N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 134480731
N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 134480825

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine (CID 14712123) is N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine is c1coc(CNCCCc2cnc[nH]2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine?
The InChIKey is KOGQYKLHHMBXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1(3-10-7-13-9-14-10)5-12-8-11-4-2-6-15-11/h2,4,6-7,9,12H,1,3,5,8H2,(H,13,14).
What are the key properties of N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine?
N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine has a molecular weight of 205.26 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine is sourced from PubChem (CID 14712123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).