N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

C15H26N2O — CID 54952768

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1cc(C(C)NC(C)CN2CCCC2)c(C)o1
InChIInChI=1S/C15H26N2O/c1-11(10-17-7-5-6-8-17)16-13(3)15-9-12(2)18-14(15)4/h9,11,13,16H,5-8,10H2,1-4H3
InChIKeyOTJWOJUWCLCTCY-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.03
Rot. Bonds5

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 54952768) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID54952768
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1cc(C(C)NC(C)CN2CCCC2)c(C)o1
InChIInChI=1S/C15H26N2O/c1-11(10-17-7-5-6-8-17)16-13(3)15-9-12(2)18-14(15)4/h9,11,13,16H,5-8,10H2,1-4H3
InChIKeyOTJWOJUWCLCTCY-UHFFFAOYSA-N
XLogP3.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749115
N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135
N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749075
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076
N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471730
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472055
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373945
1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine
CID 86809048
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pentan-2-amine
CID 61471885
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60927070

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 54952768) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is Cc1cc(C(C)NC(C)CN2CCCC2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is OTJWOJUWCLCTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(10-17-7-5-6-8-17)16-13(3)15-9-12(2)18-14(15)4/h9,11,13,16H,5-8,10H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 54952768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).