(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine

C11H20N2 — CID 54294380

IUPAC(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine
SMILESNCC1CCCN1C1C=CCCC1
InChIInChI=1S/C11H20N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h2,5,10-11H,1,3-4,6-9,12H2
InChIKeyRZTRIEDLVFQBAA-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.52
Rot. Bonds2

About (1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine

(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine (PubChem CID 54294380) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is (1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine
PubChem CID54294380
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine
SMILESNCC1CCCN1C1C=CCCC1
InChIInChI=1S/C11H20N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h2,5,10-11H,1,3-4,6-9,12H2
InChIKeyRZTRIEDLVFQBAA-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.52
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-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine?
The IUPAC name of (1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine (CID 54294380) is (1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for (1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine?
The canonical SMILES for (1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine is NCC1CCCN1C1C=CCCC1.
What is the InChIKey of (1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine?
The InChIKey is RZTRIEDLVFQBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h2,5,10-11H,1,3-4,6-9,12H2.
What are the key properties of (1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine?
(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine has a molecular weight of 180.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 54294380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).