[1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine

C15H30N2O — CID 65051634

IUPAC[1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine
SMILESNCC1(OCCCN2CCCC2)CCCCCC1
InChIInChI=1S/C15H30N2O/c16-14-15(8-3-1-2-4-9-15)18-13-7-12-17-10-5-6-11-17/h1-14,16H2
InChIKeyPXYPDSAXELKMGE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.54
Rot. Bonds6

About [1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine

[1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine (PubChem CID 65051634) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine
PubChem CID65051634
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine
SMILESNCC1(OCCCN2CCCC2)CCCCCC1
InChIInChI=1S/C15H30N2O/c16-14-15(8-3-1-2-4-9-15)18-13-7-12-17-10-5-6-11-17/h1-14,16H2
InChIKeyPXYPDSAXELKMGE-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.54
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-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine?
The IUPAC name of [1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine (CID 65051634) is [1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine.
What is the SMILES notation for [1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine?
The canonical SMILES for [1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine is NCC1(OCCCN2CCCC2)CCCCCC1.
What is the InChIKey of [1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine?
The InChIKey is PXYPDSAXELKMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c16-14-15(8-3-1-2-4-9-15)18-13-7-12-17-10-5-6-11-17/h1-14,16H2.
What are the key properties of [1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine?
[1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-pyrrolidin-1-ylpropoxy)cycloheptyl]methanamine is sourced from PubChem (CID 65051634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).