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

C12H20N2O — CID 79741678

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine
SMILESCc1cc(C(C)NC2CCNC2)c(C)o1
InChIInChI=1S/C12H20N2O/c1-8-6-12(10(3)15-8)9(2)14-11-4-5-13-7-11/h6,9,11,13-14H,4-5,7H2,1-3H3
InChIKeyBHTFDXAOLDLIOZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.91
Rot. Bonds3

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

N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine (PubChem CID 79741678) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine
PubChem CID79741678
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine
SMILESCc1cc(C(C)NC2CCNC2)c(C)o1
InChIInChI=1S/C12H20N2O/c1-8-6-12(10(3)15-8)9(2)14-11-4-5-13-7-11/h6,9,11,13-14H,4-5,7H2,1-3H3
InChIKeyBHTFDXAOLDLIOZ-UHFFFAOYSA-N
XLogP1.91
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine
CID 124850379
N-[1-(2,5-dimethylfuran-3-yl)ethyl]thian-3-amine
CID 62870946
1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine
CID 79459068
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083318
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
CID 79724448
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81349453
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895601
N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
CID 79724475
2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
N-[1-(2,5-dimethylfuran-3-yl)ethyl]adamantan-2-amine
CID 43720446
N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine
CID 104579144

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine (CID 79741678) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine is Cc1cc(C(C)NC2CCNC2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is BHTFDXAOLDLIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-6-12(10(3)15-8)9(2)14-11-4-5-13-7-11/h6,9,11,13-14H,4-5,7H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 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]pyrrolidin-3-amine is sourced from PubChem (CID 79741678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).