N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine

C12H17N3O — CID 62446636

IUPACN-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cn2ccnc2)o1
InChIInChI=1S/C12H17N3O/c1-2-5-13-8-11-3-4-12(16-11)9-15-7-6-14-10-15/h3-4,6-7,10,13H,2,5,8-9H2,1H3
InChIKeyQREJSQTWBXEDBL-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.02
Rot. Bonds6

About N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine

N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62446636) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62446636
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cn2ccnc2)o1
InChIInChI=1S/C12H17N3O/c1-2-5-13-8-11-3-4-12(16-11)9-15-7-6-14-10-15/h3-4,6-7,10,13H,2,5,8-9H2,1H3
InChIKeyQREJSQTWBXEDBL-UHFFFAOYSA-N
XLogP2.02
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.02
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

[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol
CID 64580128
N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073284
N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine
CID 105348525
3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;oxalic acid
CID 17053071
N-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55072879
N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62439919
1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one
CID 113372229
3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 17156318
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62223213
N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62439132
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156371

Frequently Asked Questions

What is the IUPAC name of N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine (CID 62446636) is N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(Cn2ccnc2)o1.
What is the InChIKey of N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is QREJSQTWBXEDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-5-13-8-11-3-4-12(16-11)9-15-7-6-14-10-15/h3-4,6-7,10,13H,2,5,8-9H2,1H3.
What are the key properties of N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62446636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).