1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine

C14H22N2S — CID 55152081

IUPAC1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine
SMILESCc1ccc(C(C)NC2CCN(C3CC3)C2)s1
InChIInChI=1S/C14H22N2S/c1-10-3-6-14(17-10)11(2)15-12-7-8-16(9-12)13-4-5-13/h3,6,11-13,15H,4-5,7-9H2,1-2H3
InChIKeySFVRSURSIUZONI-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.94
Rot. Bonds4

About 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine

1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine (PubChem CID 55152081) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine
PubChem CID55152081
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine
SMILESCc1ccc(C(C)NC2CCN(C3CC3)C2)s1
InChIInChI=1S/C14H22N2S/c1-10-3-6-14(17-10)11(2)15-12-7-8-16(9-12)13-4-5-13/h3,6,11-13,15H,4-5,7-9H2,1-2H3
InChIKeySFVRSURSIUZONI-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 115717113
1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
9-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471234
cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 43747882
1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81364151
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine
CID 81379064
1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine
CID 115879255
1-cyclopropyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
CID 106757719
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine
CID 103082789
N-[(1S)-1-cyclohexylethyl]-1-cyclopropylpyrrolidin-3-amine
CID 81387724
trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 102733244
2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63068697

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine (CID 55152081) is 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine is Cc1ccc(C(C)NC2CCN(C3CC3)C2)s1.
What is the InChIKey of 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is SFVRSURSIUZONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-3-6-14(17-10)11(2)15-12-7-8-16(9-12)13-4-5-13/h3,6,11-13,15H,4-5,7-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine?
1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 250.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 55152081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).