1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C13H23N3O — CID 55128528

IUPAC1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1Cc1cc(CN)co1
InChIInChI=1S/C13H23N3O/c1-15(2)8-12-4-3-5-16(12)9-13-6-11(7-14)10-17-13/h6,10,12H,3-5,7-9,14H2,1-2H3
InChIKeySEXICIHFDKVUEY-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.26
Rot. Bonds5

About 1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 55128528) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID55128528
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1Cc1cc(CN)co1
InChIInChI=1S/C13H23N3O/c1-15(2)8-12-4-3-5-16(12)9-13-6-11(7-14)10-17-13/h6,10,12H,3-5,7-9,14H2,1-2H3
InChIKeySEXICIHFDKVUEY-UHFFFAOYSA-N
XLogP1.26
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]furan-3-yl]methyl]propan-1-amine
CID 62888715
[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 62412124
1-[1-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888362
[5-[(3-methylmorpholin-4-yl)methyl]furan-3-yl]methanamine
CID 62422880
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62889225
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
CID 62885023
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]methanamine
CID 79312500
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62420838
N-[[5-[(2-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 83062404
N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 104692369
1-[1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885724
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline
CID 81150092

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 55128528) is 1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1Cc1cc(CN)co1.
What is the InChIKey of 1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is SEXICIHFDKVUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-15(2)8-12-4-3-5-16(12)9-13-6-11(7-14)10-17-13/h6,10,12H,3-5,7-9,14H2,1-2H3.
What are the key properties of 1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 55128528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).