N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine

C14H21N3O — CID 66148632

IUPACN-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1CCc1ccco1
InChIInChI=1S/C14H21N3O/c1-14(2,3)16-10-12-9-15-11-17(12)7-6-13-5-4-8-18-13/h4-5,8-9,11,16H,6-7,10H2,1-3H3
InChIKeyVUKPMRANRXSHER-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.61
Rot. Bonds5

About N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66148632) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66148632
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1CCc1ccco1
InChIInChI=1S/C14H21N3O/c1-14(2,3)16-10-12-9-15-11-17(12)7-6-13-5-4-8-18-13/h4-5,8-9,11,16H,6-7,10H2,1-3H3
InChIKeyVUKPMRANRXSHER-UHFFFAOYSA-N
XLogP2.61
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147964
2-methyl-N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146912
N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147953
N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 106261698
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66146500
1-(furan-2-ylmethyl)-5-methylimidazole
CID 116798912
5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride
CID 18673584
2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150721
N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147784
4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
CID 114718688
2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447009

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66148632) is N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cncn1CCc1ccco1.
What is the InChIKey of N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VUKPMRANRXSHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)16-10-12-9-15-11-17(12)7-6-13-5-4-8-18-13/h4-5,8-9,11,16H,6-7,10H2,1-3H3.
What are the key properties of N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66148632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).