3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine

C13H22N2 — CID 66409422

IUPAC3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine
SMILESCCC1CCC(NCc2cc[nH]c2)C1C
InChIInChI=1S/C13H22N2/c1-3-12-4-5-13(10(12)2)15-9-11-6-7-14-8-11/h6-8,10,12-15H,3-5,9H2,1-2H3
InChIKeyWZGJSMARBLJODT-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.93
Rot. Bonds4

About 3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine

3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine (PubChem CID 66409422) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine
PubChem CID66409422
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine
SMILESCCC1CCC(NCc2cc[nH]c2)C1C
InChIInChI=1S/C13H22N2/c1-3-12-4-5-13(10(12)2)15-9-11-6-7-14-8-11/h6-8,10,12-15H,3-5,9H2,1-2H3
InChIKeyWZGJSMARBLJODT-UHFFFAOYSA-N
XLogP2.93
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine (CID 66409422) is 3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine is CCC1CCC(NCc2cc[nH]c2)C1C.
What is the InChIKey of 3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine?
The InChIKey is WZGJSMARBLJODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-12-4-5-13(10(12)2)15-9-11-6-7-14-8-11/h6-8,10,12-15H,3-5,9H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine?
3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 66409422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).