N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine

C12H17N3O — CID 62563647

IUPACN-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1C(C)CNCc1ccco1
InChIInChI=1S/C12H17N3O/c1-10(15-6-5-14-11(15)2)8-13-9-12-4-3-7-16-12/h3-7,10,13H,8-9H2,1-2H3
InChIKeyLFRCMOMKUVKZIA-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.14
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine

N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine (PubChem CID 62563647) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine
PubChem CID62563647
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1C(C)CNCc1ccco1
InChIInChI=1S/C12H17N3O/c1-10(15-6-5-14-11(15)2)8-13-9-12-4-3-7-16-12/h3-7,10,13H,8-9H2,1-2H3
InChIKeyLFRCMOMKUVKZIA-UHFFFAOYSA-N
XLogP2.14
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine
CID 62565146
2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 82694425
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868
2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 114274283
N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106925818
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62557113
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62557140
N-(furan-2-ylmethyl)-2-(4-methylphenoxy)propan-1-amine
CID 46736230
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine (CID 62563647) is N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine is Cc1nccn1C(C)CNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine?
The InChIKey is LFRCMOMKUVKZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10(15-6-5-14-11(15)2)8-13-9-12-4-3-7-16-12/h3-7,10,13H,8-9H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine?
N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 62563647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).