[1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine

C13H20N2S — CID 115311689

IUPAC[1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1C(c1cccs1)C1CC1
InChIInChI=1S/C13H20N2S/c14-9-11-3-1-7-15(11)13(10-5-6-10)12-4-2-8-16-12/h2,4,8,10-11,13H,1,3,5-7,9,14H2
InChIKeyKMANKUHERCINOA-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.62
Rot. Bonds4

About [1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine

[1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 115311689) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is [1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID115311689
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name[1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1C(c1cccs1)C1CC1
InChIInChI=1S/C13H20N2S/c14-9-11-3-1-7-15(11)13(10-5-6-10)12-4-2-8-16-12/h2,4,8,10-11,13H,1,3,5-7,9,14H2
InChIKeyKMANKUHERCINOA-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine (CID 115311689) is [1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1C(c1cccs1)C1CC1.
What is the InChIKey of [1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is KMANKUHERCINOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c14-9-11-3-1-7-15(11)13(10-5-6-10)12-4-2-8-16-12/h2,4,8,10-11,13H,1,3,5-7,9,14H2.
What are the key properties of [1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine?
[1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 236.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115311689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).