2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine

C13H24N2 — CID 11971345

IUPAC2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESC(CNCC1CCCN1)=C1CCCCC1
InChIInChI=1S/C13H24N2/c1-2-5-12(6-3-1)8-10-14-11-13-7-4-9-15-13/h8,13-15H,1-7,9-11H2
InChIKeyMSYSPAAWCBIWRL-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.22
Rot. Bonds4

About 2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine

2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 11971345) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID11971345
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESC(CNCC1CCCN1)=C1CCCCC1
InChIInChI=1S/C13H24N2/c1-2-5-12(6-3-1)8-10-14-11-13-7-4-9-15-13/h8,13-15H,1-7,9-11H2
InChIKeyMSYSPAAWCBIWRL-UHFFFAOYSA-N
XLogP2.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 11971345) is 2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine is C(CNCC1CCCN1)=C1CCCCC1.
What is the InChIKey of 2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is MSYSPAAWCBIWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-5-12(6-3-1)8-10-14-11-13-7-4-9-15-13/h8,13-15H,1-7,9-11H2.
What are the key properties of 2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 208.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 11971345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).