1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine

C18H22N2S — CID 62981126

IUPAC1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine
SMILESc1ccc(C(NC2CCN(C3CC3)C2)c2cccs2)cc1
InChIInChI=1S/C18H22N2S/c1-2-5-14(6-3-1)18(17-7-4-12-21-17)19-15-10-11-20(13-15)16-8-9-16/h1-7,12,15-16,18-19H,8-11,13H2
InChIKeyMBWOZZJVOGFNCN-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.66
Rot. Bonds5

About 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine

1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 62981126) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine
PubChem CID62981126
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine
SMILESc1ccc(C(NC2CCN(C3CC3)C2)c2cccs2)cc1
InChIInChI=1S/C18H22N2S/c1-2-5-14(6-3-1)18(17-7-4-12-21-17)19-15-10-11-20(13-15)16-8-9-16/h1-7,12,15-16,18-19H,8-11,13H2
InChIKeyMBWOZZJVOGFNCN-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
CID 43224396
1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
N-[phenyl(thiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43722098
3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine
CID 104859620
N-[phenyl(thiophen-2-yl)methyl]thian-3-amine
CID 62873455
3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224426
2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 64763028
1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine
CID 20575168
N-(dithiophen-2-ylmethyl)cyclopentanamine
CID 43756506
1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 55152081
1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81364151
2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine
CID 79859844

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine (CID 62981126) is 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine is c1ccc(C(NC2CCN(C3CC3)C2)c2cccs2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is MBWOZZJVOGFNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-2-5-14(6-3-1)18(17-7-4-12-21-17)19-15-10-11-20(13-15)16-8-9-16/h1-7,12,15-16,18-19H,8-11,13H2.
What are the key properties of 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine?
1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 298.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 62981126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).