[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine

C13H24N2 — CID 3024075

IUPAC[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1CC=C1CCCCC1
InChIInChI=1S/C13H24N2/c14-11-13-7-4-9-15(13)10-8-12-5-2-1-3-6-12/h8,13H,1-7,9-11,14H2
InChIKeyQFVOZAOPJOBVIT-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.30
Rot. Bonds3

About [1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine

[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine (PubChem CID 3024075) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is [1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine
PubChem CID3024075
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1CC=C1CCCCC1
InChIInChI=1S/C13H24N2/c14-11-13-7-4-9-15(13)10-8-12-5-2-1-3-6-12/h8,13H,1-7,9-11,14H2
InChIKeyQFVOZAOPJOBVIT-UHFFFAOYSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine (CID 3024075) is [1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine is NCC1CCCN1CC=C1CCCCC1.
What is the InChIKey of [1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is QFVOZAOPJOBVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c14-11-13-7-4-9-15(13)10-8-12-5-2-1-3-6-12/h8,13H,1-7,9-11,14H2.
What are the key properties of [1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine?
[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 208.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 3024075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).