1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

C14H22N2S — CID 60762346

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2CCN(C3CC3)C2)s1
InChIInChI=1S/C14H22N2S/c1-11-2-5-14(17-11)9-15-8-12-6-7-16(10-12)13-3-4-13/h2,5,12-13,15H,3-4,6-10H2,1H3
InChIKeyNNBMHGGIEXIBBU-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.63
Rot. Bonds5

About 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (PubChem CID 60762346) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
PubChem CID60762346
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2CCN(C3CC3)C2)s1
InChIInChI=1S/C14H22N2S/c1-11-2-5-14(17-11)9-15-8-12-6-7-16(10-12)13-3-4-13/h2,5,12-13,15H,3-4,6-10H2,1H3
InChIKeyNNBMHGGIEXIBBU-UHFFFAOYSA-N
XLogP2.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111898248
1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 55192164
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54920898
2-(4-cyclopropylpiperazin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55089324
N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 63006349
N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 79969166
5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 103240552
4-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 103240565
1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
CID 60761364
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 95303166
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 119034515
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine
CID 54881039

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (CID 60762346) is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is Cc1ccc(CNCC2CCN(C3CC3)C2)s1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is NNBMHGGIEXIBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11-2-5-14(17-11)9-15-8-12-6-7-16(10-12)13-3-4-13/h2,5,12-13,15H,3-4,6-10H2,1H3.
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 250.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 60762346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).