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

C15H23N3O — CID 61463674

IUPACN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NC(c1ccco1)c1nccn1C
InChIInChI=1S/C15H23N3O/c1-5-11(2)12(3)17-14(13-7-6-10-19-13)15-16-8-9-18(15)4/h6-12,14,17H,5H2,1-4H3
InChIKeyNXRGIIPSUVOLSQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.13
Rot. Bonds6

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

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine (PubChem CID 61463674) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
PubChem CID61463674
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NC(c1ccco1)c1nccn1C
InChIInChI=1S/C15H23N3O/c1-5-11(2)12(3)17-14(13-7-6-10-19-13)15-16-8-9-18(15)4/h6-12,14,17H,5H2,1-4H3
InChIKeyNXRGIIPSUVOLSQ-UHFFFAOYSA-N
XLogP3.13
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol
CID 61246713
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide
CID 43781268
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide
CID 61464680
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]cycloheptanamine
CID 43767058
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine
CID 82942538
N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
CID 60780727
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine?
The IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine (CID 61463674) is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine.
What is the SMILES notation for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine?
The canonical SMILES for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine is CCC(C)C(C)NC(c1ccco1)c1nccn1C.
What is the InChIKey of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine?
The InChIKey is NXRGIIPSUVOLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-11(2)12(3)17-14(13-7-6-10-19-13)15-16-8-9-18(15)4/h6-12,14,17H,5H2,1-4H3.
What are the key properties of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine?
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine is sourced from PubChem (CID 61463674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).