(3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine

C14H22N2O — CID 133125856

IUPAC(3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CN(Cc2ccco2)C[C@H]1C1CC1
InChIInChI=1S/C14H22N2O/c1-15(2)14-10-16(8-12-4-3-7-17-12)9-13(14)11-5-6-11/h3-4,7,11,13-14H,5-6,8-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyXLJXEEQGKPBPGT-UONOGXRCSA-N
MW234.34 g/mol
LogP2.05
Rot. Bonds4

About (3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine

(3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 133125856) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID133125856
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CN(Cc2ccco2)C[C@H]1C1CC1
InChIInChI=1S/C14H22N2O/c1-15(2)14-10-16(8-12-4-3-7-17-12)9-13(14)11-5-6-11/h3-4,7,11,13-14H,5-6,8-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyXLJXEEQGKPBPGT-UONOGXRCSA-N
XLogP2.05
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
(3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 72885634
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
(4aS,8R,8aS)-6-(furan-2-ylmethyl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine;bis(2,2,2-trifluoroacetic acid)
CID 127023604
3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009587
tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 100895333
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
(3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride
CID 155834911
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
2-[1-(furan-2-ylmethyl)azetidin-3-yl]propanoic acid
CID 116683796

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine (CID 133125856) is (3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@@H]1CN(Cc2ccco2)C[C@H]1C1CC1.
What is the InChIKey of (3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is XLJXEEQGKPBPGT-UONOGXRCSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15(2)14-10-16(8-12-4-3-7-17-12)9-13(14)11-5-6-11/h3-4,7,11,13-14H,5-6,8-10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine?
(3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 133125856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).