1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine

C13H26N2O — CID 64574641

IUPAC1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine
SMILESNC1(COCCN2CCCC2)CCCCC1
InChIInChI=1S/C13H26N2O/c14-13(6-2-1-3-7-13)12-16-11-10-15-8-4-5-9-15/h1-12,14H2
InChIKeyYKJREUOLBJBQHP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds5

About 1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine

1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine (PubChem CID 64574641) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine
PubChem CID64574641
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine
SMILESNC1(COCCN2CCCC2)CCCCC1
InChIInChI=1S/C13H26N2O/c14-13(6-2-1-3-7-13)12-16-11-10-15-8-4-5-9-15/h1-12,14H2
InChIKeyYKJREUOLBJBQHP-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine?
The IUPAC name of 1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine (CID 64574641) is 1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine is NC1(COCCN2CCCC2)CCCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine?
The InChIKey is YKJREUOLBJBQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c14-13(6-2-1-3-7-13)12-16-11-10-15-8-4-5-9-15/h1-12,14H2.
What are the key properties of 1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine?
1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethoxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 64574641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).