N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine

C14H24N2S — CID 54976733

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1cc(CNC(C)CN2CCCC2)c(C)s1
InChIInChI=1S/C14H24N2S/c1-11(10-16-6-4-5-7-16)15-9-14-8-12(2)17-13(14)3/h8,11,15H,4-7,9-10H2,1-3H3
InChIKeyBRHXXEDKJFRCBW-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.94
Rot. Bonds5

About N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 54976733) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID54976733
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1cc(CNC(C)CN2CCCC2)c(C)s1
InChIInChI=1S/C14H24N2S/c1-11(10-16-6-4-5-7-16)15-9-14-8-12(2)17-13(14)3/h8,11,15H,4-7,9-10H2,1-3H3
InChIKeyBRHXXEDKJFRCBW-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 54977127
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 54976929
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one
CID 114038762
N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine
CID 83007388
N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938184
N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 55067398
N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 102615571
N-[(2,5-dimethylthiophen-3-yl)methyl]-3-ethylpentan-2-amine
CID 63842249
3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide
CID 114480039
N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107972034
(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 51683369

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 54976733) is N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is Cc1cc(CNC(C)CN2CCCC2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is BRHXXEDKJFRCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11(10-16-6-4-5-7-16)15-9-14-8-12(2)17-13(14)3/h8,11,15H,4-7,9-10H2,1-3H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 54976733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).