N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine

C13H22N2S — CID 62581623

IUPACN-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1Cc1ccsc1
InChIInChI=1S/C13H22N2S/c1-11(2)14-8-13-4-3-6-15(13)9-12-5-7-16-10-12/h5,7,10-11,13-14H,3-4,6,8-9H2,1-2H3
InChIKeyUOYRQQKMWPAFAD-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.71
Rot. Bonds5

About N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine

N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 62581623) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID62581623
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1Cc1ccsc1
InChIInChI=1S/C13H22N2S/c1-11(2)14-8-13-4-3-6-15(13)9-12-5-7-16-10-12/h5,7,10-11,13-14H,3-4,6,8-9H2,1-2H3
InChIKeyUOYRQQKMWPAFAD-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 63387601
N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62579502
N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580001
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581090
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580367
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581436
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81024765
N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581089
1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol
CID 115882861
N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62581473

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine (CID 62581623) is N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCN1Cc1ccsc1.
What is the InChIKey of N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is UOYRQQKMWPAFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11(2)14-8-13-4-3-6-15(13)9-12-5-7-16-10-12/h5,7,10-11,13-14H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62581623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).