(3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine

C14H28N2O — CID 126735930

IUPAC(3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1C[C@@H](N)[C@H](C2CCCCCC2)C1
InChIInChI=1S/C14H28N2O/c1-17-9-8-16-10-13(14(15)11-16)12-6-4-2-3-5-7-12/h12-14H,2-11,15H2,1H3/t13-,14+/m0/s1
InChIKeyIMZPYGYHAIJTER-UONOGXRCSA-N
MW240.39 g/mol
LogP1.86
Rot. Bonds4

About (3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine

(3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 126735930) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID126735930
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1C[C@@H](N)[C@H](C2CCCCCC2)C1
InChIInChI=1S/C14H28N2O/c1-17-9-8-16-10-13(14(15)11-16)12-6-4-2-3-5-7-12/h12-14H,2-11,15H2,1H3/t13-,14+/m0/s1
InChIKeyIMZPYGYHAIJTER-UONOGXRCSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine (CID 126735930) is (3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine is COCCN1C[C@@H](N)[C@H](C2CCCCCC2)C1.
What is the InChIKey of (3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is IMZPYGYHAIJTER-UONOGXRCSA-N. The full InChI is InChI=1S/C14H28N2O/c1-17-9-8-16-10-13(14(15)11-16)12-6-4-2-3-5-7-12/h12-14H,2-11,15H2,1H3/t13-,14+/m0/s1.
What are the key properties of (3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
(3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 240.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-cycloheptyl-1-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 126735930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).