[1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine

C14H28N2O — CID 107910933

IUPAC[1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine
SMILESNCC1(OCCN2CCCC2)CCCCCC1
InChIInChI=1S/C14H28N2O/c15-13-14(7-3-1-2-4-8-14)17-12-11-16-9-5-6-10-16/h1-13,15H2
InChIKeyXKICJLZQBCCQPR-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.15
Rot. Bonds5

About [1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine

[1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine (PubChem CID 107910933) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine
PubChem CID107910933
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine
SMILESNCC1(OCCN2CCCC2)CCCCCC1
InChIInChI=1S/C14H28N2O/c15-13-14(7-3-1-2-4-8-14)17-12-11-16-9-5-6-10-16/h1-13,15H2
InChIKeyXKICJLZQBCCQPR-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine?
The IUPAC name of [1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine (CID 107910933) is [1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine.
What is the SMILES notation for [1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine?
The canonical SMILES for [1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine is NCC1(OCCN2CCCC2)CCCCCC1.
What is the InChIKey of [1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine?
The InChIKey is XKICJLZQBCCQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c15-13-14(7-3-1-2-4-8-14)17-12-11-16-9-5-6-10-16/h1-13,15H2.
What are the key properties of [1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine?
[1-(2-pyrrolidin-1-ylethoxy)cycloheptyl]methanamine has a molecular weight of 240.39 g/mol, XLogP of 2.15, 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-ylethoxy)cycloheptyl]methanamine is sourced from PubChem (CID 107910933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).