N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine

C14H28N2O — CID 62580928

IUPACN-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN1CC1CCCC1
InChIInChI=1S/C14H28N2O/c1-17-10-8-15-11-14-7-4-9-16(14)12-13-5-2-3-6-13/h13-15H,2-12H2,1H3
InChIKeyAXIOOLKIOOTSTL-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds7

About N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine

N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine (PubChem CID 62580928) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
PubChem CID62580928
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN1CC1CCCC1
InChIInChI=1S/C14H28N2O/c1-17-10-8-15-11-14-7-4-9-16(14)12-13-5-2-3-6-13/h13-15H,2-12H2,1H3
InChIKeyAXIOOLKIOOTSTL-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
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 N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine (CID 62580928) is N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine is COCCNCC1CCCN1CC1CCCC1.
What is the InChIKey of N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is AXIOOLKIOOTSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-17-10-8-15-11-14-7-4-9-16(14)12-13-5-2-3-6-13/h13-15H,2-12H2,1H3.
What are the key properties of N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62580928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).