N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine

C11H15N3O — CID 17156294

IUPACN-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
SMILESc1coc(CNCCCn2ccnc2)c1
InChIInChI=1S/C11H15N3O/c1-3-11(15-8-1)9-12-4-2-6-14-7-5-13-10-14/h1,3,5,7-8,10,12H,2,4,6,9H2
InChIKeyFWWZBBUFADMPRR-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.66
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine

N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine (PubChem CID 17156294) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
PubChem CID17156294
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
SMILESc1coc(CNCCCn2ccnc2)c1
InChIInChI=1S/C11H15N3O/c1-3-11(15-8-1)9-12-4-2-6-14-7-5-13-10-14/h1,3,5,7-8,10,12H,2,4,6,9H2
InChIKeyFWWZBBUFADMPRR-UHFFFAOYSA-N
XLogP1.66
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol
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3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 17156318
N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
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3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
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3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
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N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868
3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;oxalic acid
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CID 170781680
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
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CID 63850210

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine (CID 17156294) is N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine is c1coc(CNCCCn2ccnc2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine?
The InChIKey is FWWZBBUFADMPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-11(15-8-1)9-12-4-2-6-14-7-5-13-10-14/h1,3,5,7-8,10,12H,2,4,6,9H2.
What are the key properties of N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine?
N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine has a molecular weight of 205.26 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 17156294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).