6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine

C11H20N2 — CID 137399838

IUPAC6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine
SMILESCNC1CC=CCC(/C(C)=C/N)C1
InChIInChI=1S/C11H20N2/c1-9(8-12)10-5-3-4-6-11(7-10)13-2/h3-4,8,10-11,13H,5-7,12H2,1-2H3/b9-8+
InChIKeyWYYQFEDOIJRRTF-CMDGGOBGSA-N
MW180.29 g/mol
LogP1.79
Rot. Bonds2

About 6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine

6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine (PubChem CID 137399838) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine.

Molecular Properties

Compound Name6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine
PubChem CID137399838
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine
SMILESCNC1CC=CCC(/C(C)=C/N)C1
InChIInChI=1S/C11H20N2/c1-9(8-12)10-5-3-4-6-11(7-10)13-2/h3-4,8,10-11,13H,5-7,12H2,1-2H3/b9-8+
InChIKeyWYYQFEDOIJRRTF-CMDGGOBGSA-N
XLogP1.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
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 6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine?
The IUPAC name of 6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine (CID 137399838) is 6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine.
What is the SMILES notation for 6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine?
The canonical SMILES for 6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine is CNC1CC=CCC(/C(C)=C/N)C1.
What is the InChIKey of 6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine?
The InChIKey is WYYQFEDOIJRRTF-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(8-12)10-5-3-4-6-11(7-10)13-2/h3-4,8,10-11,13H,5-7,12H2,1-2H3/b9-8+.
What are the key properties of 6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine?
6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-aminoprop-1-en-2-yl]-N-methylcyclohept-3-en-1-amine is sourced from PubChem (CID 137399838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).