3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine

C15H27N3S — CID 79476289

IUPAC3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
SMILESCC(C)N1CCC(CN)(N(C)CCc2cccs2)C1
InChIInChI=1S/C15H27N3S/c1-13(2)18-9-7-15(11-16,12-18)17(3)8-6-14-5-4-10-19-14/h4-5,10,13H,6-9,11-12,16H2,1-3H3
InChIKeyDASSOUVKNWKIGB-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.03
Rot. Bonds6

About 3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine

3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine (PubChem CID 79476289) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
PubChem CID79476289
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
SMILESCC(C)N1CCC(CN)(N(C)CCc2cccs2)C1
InChIInChI=1S/C15H27N3S/c1-13(2)18-9-7-15(11-16,12-18)17(3)8-6-14-5-4-10-19-14/h4-5,10,13H,6-9,11-12,16H2,1-3H3
InChIKeyDASSOUVKNWKIGB-UHFFFAOYSA-N
XLogP2.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 79476066
3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
CID 79927569
1-(aminomethyl)-2-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 113483797
1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80705684
3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine
CID 117012449
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63726456
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
CID 59269201
CID 59269201
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
4-(aminomethyl)-N-methyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078410
1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 103562740
3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine
CID 61436759

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine (CID 79476289) is 3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine is CC(C)N1CCC(CN)(N(C)CCc2cccs2)C1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine?
The InChIKey is DASSOUVKNWKIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-13(2)18-9-7-15(11-16,12-18)17(3)8-6-14-5-4-10-19-14/h4-5,10,13H,6-9,11-12,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine?
3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine has a molecular weight of 281.47 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 79476289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).