N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine

C11H18N2S — CID 71637827

IUPACN-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine
SMILESCC(NCC1CCCN1)c1cccs1
InChIInChI=1S/C11H18N2S/c1-9(11-5-3-7-14-11)13-8-10-4-2-6-12-10/h3,5,7,9-10,12-13H,2,4,6,8H2,1H3
InChIKeyBNRABSUPQIDUSU-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.15
Rot. Bonds4

About N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine

N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine (PubChem CID 71637827) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine
PubChem CID71637827
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine
SMILESCC(NCC1CCCN1)c1cccs1
InChIInChI=1S/C11H18N2S/c1-9(11-5-3-7-14-11)13-8-10-4-2-6-12-10/h3,5,7,9-10,12-13H,2,4,6,8H2,1H3
InChIKeyBNRABSUPQIDUSU-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-thiophen-2-ylpropyl)pyrrolidine
CID 112715427
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687090
N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 71637837
(2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine
CID 97162429
2-pyrrolidin-2-yl-1-thiophen-2-ylethanamine
CID 116935934
N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637049
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 106605144
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
2-pyrrolidin-2-yl-N-[(1S)-1-thiophen-2-ylethyl]cyclopentan-1-amine
CID 81398761

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine (CID 71637827) is N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine is CC(NCC1CCCN1)c1cccs1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine?
The InChIKey is BNRABSUPQIDUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9(11-5-3-7-14-11)13-8-10-4-2-6-12-10/h3,5,7,9-10,12-13H,2,4,6,8H2,1H3.
What are the key properties of N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine?
N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine has a molecular weight of 210.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 71637827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).