N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine

C13H19BrN2S — CID 115685133

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESCC1CC(NCc2ccc(Br)s2)CN1C1CC1
InChIInChI=1S/C13H19BrN2S/c1-9-6-10(8-16(9)11-2-3-11)15-7-12-4-5-13(14)17-12/h4-5,9-11,15H,2-3,6-8H2,1H3
InChIKeyABTHVNSNAALVDX-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.23
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine

N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine (PubChem CID 115685133) has the molecular formula C13H19BrN2S and a molecular weight of 315.28 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
PubChem CID115685133
Molecular FormulaC13H19BrN2S
Molecular Weight315.28 g/mol
Exact Mass314.05
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESCC1CC(NCc2ccc(Br)s2)CN1C1CC1
InChIInChI=1S/C13H19BrN2S/c1-9-6-10(8-16(9)11-2-3-11)15-7-12-4-5-13(14)17-12/h4-5,9-11,15H,2-3,6-8H2,1H3
InChIKeyABTHVNSNAALVDX-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234226
N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685137
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 115715680
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115713126
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64501545
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115688251
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907544
[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 103753139

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine (CID 115685133) is N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine is CC1CC(NCc2ccc(Br)s2)CN1C1CC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The InChIKey is ABTHVNSNAALVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2S/c1-9-6-10(8-16(9)11-2-3-11)15-7-12-4-5-13(14)17-12/h4-5,9-11,15H,2-3,6-8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine has a molecular weight of 315.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 115685133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).