1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine

C17H31N3O — CID 81463877

IUPAC1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(Cc2occc2CNC(C)(C)C)CC1N(C)C
InChIInChI=1S/C17H31N3O/c1-13-10-20(11-15(13)19(5)6)12-16-14(7-8-21-16)9-18-17(2,3)4/h7-8,13,15,18H,9-12H2,1-6H3
InChIKeyKYQNQYNAUKPGDW-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.55
Rot. Bonds5

About 1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81463877) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81463877
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(Cc2occc2CNC(C)(C)C)CC1N(C)C
InChIInChI=1S/C17H31N3O/c1-13-10-20(11-15(13)19(5)6)12-16-14(7-8-21-16)9-18-17(2,3)4/h7-8,13,15,18H,9-12H2,1-6H3
InChIKeyKYQNQYNAUKPGDW-UHFFFAOYSA-N
XLogP2.55
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81463877) is 1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(Cc2occc2CNC(C)(C)C)CC1N(C)C.
What is the InChIKey of 1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is KYQNQYNAUKPGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13-10-20(11-15(13)19(5)6)12-16-14(7-8-21-16)9-18-17(2,3)4/h7-8,13,15,18H,9-12H2,1-6H3.
What are the key properties of 1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 293.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81463877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).