(1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine

C11H20N2 — CID 146175602

IUPAC(1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine
SMILESCC[C@@]1(CN)C[C@H]2CC(C)=C[C@]21N
InChIInChI=1S/C11H20N2/c1-3-10(7-12)6-9-4-8(2)5-11(9,10)13/h5,9H,3-4,6-7,12-13H2,1-2H3/t9-,10+,11+/m1/s1
InChIKeyFDRDBQOAEMNPBE-VWYCJHECSA-N
MW180.29 g/mol
LogP1.41
Rot. Bonds2

About (1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine

(1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine (PubChem CID 146175602) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine.

Molecular Properties

Compound Name(1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine
PubChem CID146175602
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine
SMILESCC[C@@]1(CN)C[C@H]2CC(C)=C[C@]21N
InChIInChI=1S/C11H20N2/c1-3-10(7-12)6-9-4-8(2)5-11(9,10)13/h5,9H,3-4,6-7,12-13H2,1-2H3/t9-,10+,11+/m1/s1
InChIKeyFDRDBQOAEMNPBE-VWYCJHECSA-N
XLogP1.41
TPSA52.04 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 ≤ 51.41
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 (1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine?
The IUPAC name of (1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine (CID 146175602) is (1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine.
What is the SMILES notation for (1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine?
The canonical SMILES for (1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine is CC[C@@]1(CN)C[C@H]2CC(C)=C[C@]21N.
What is the InChIKey of (1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine?
The InChIKey is FDRDBQOAEMNPBE-VWYCJHECSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-10(7-12)6-9-4-8(2)5-11(9,10)13/h5,9H,3-4,6-7,12-13H2,1-2H3/t9-,10+,11+/m1/s1.
What are the key properties of (1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine?
(1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7S)-7-(aminomethyl)-7-ethyl-3-methylbicyclo[3.2.0]hept-2-en-1-amine is sourced from PubChem (CID 146175602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).