N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C15H24N2S — CID 63142695

IUPACN-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESCCC1(CN(Cc2ccsc2)C2CC2)CCNC1
InChIInChI=1S/C15H24N2S/c1-2-15(6-7-16-11-15)12-17(14-3-4-14)9-13-5-8-18-10-13/h5,8,10,14,16H,2-4,6-7,9,11-12H2,1H3
InChIKeyFSAJVLYOWOGHKR-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.10
Rot. Bonds6

About N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 63142695) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID63142695
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESCCC1(CN(Cc2ccsc2)C2CC2)CCNC1
InChIInChI=1S/C15H24N2S/c1-2-15(6-7-16-11-15)12-17(14-3-4-14)9-13-5-8-18-10-13/h5,8,10,14,16H,2-4,6-7,9,11-12H2,1H3
InChIKeyFSAJVLYOWOGHKR-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 63142747
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 55167019
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62390633
N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 55165151
N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133416
[3-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 66059230
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone
CID 116570374
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 63142695) is N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is CCC1(CN(Cc2ccsc2)C2CC2)CCNC1.
What is the InChIKey of N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is FSAJVLYOWOGHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-2-15(6-7-16-11-15)12-17(14-3-4-14)9-13-5-8-18-10-13/h5,8,10,14,16H,2-4,6-7,9,11-12H2,1H3.
What are the key properties of N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 264.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 63142695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).