N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine

C12H17N3O — CID 61067392

IUPACN-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
SMILESc1coc(CNCCCCn2ccnc2)c1
InChIInChI=1S/C12H17N3O/c1(2-7-15-8-6-14-11-15)5-13-10-12-4-3-9-16-12/h3-4,6,8-9,11,13H,1-2,5,7,10H2
InChIKeyUHPDKWAAYOGXPU-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.05
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine

N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine (PubChem CID 61067392) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
PubChem CID61067392
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
SMILESc1coc(CNCCCCn2ccnc2)c1
InChIInChI=1S/C12H17N3O/c1(2-7-15-8-6-14-11-15)5-13-10-12-4-3-9-16-12/h3-4,6,8-9,11,13H,1-2,5,7,10H2
InChIKeyUHPDKWAAYOGXPU-UHFFFAOYSA-N
XLogP2.05
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.05
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

N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol
CID 64580128
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868
4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine
CID 43478949
3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;oxalic acid
CID 17053071
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
CID 28833124
3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
CID 81176934
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
CID 61071099
N-[(3-fluorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61070174

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine (CID 61067392) is N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine is c1coc(CNCCCCn2ccnc2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine?
The InChIKey is UHPDKWAAYOGXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1(2-7-15-8-6-14-11-15)5-13-10-12-4-3-9-16-12/h3-4,6,8-9,11,13H,1-2,5,7,10H2.
What are the key properties of N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine?
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine is sourced from PubChem (CID 61067392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).