3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine

C12H21N — CID 134360588

IUPAC3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine
SMILESCCCNC1(C)C=C2CCC(C2)C1
InChIInChI=1S/C12H21N/c1-3-6-13-12(2)8-10-4-5-11(7-10)9-12/h8,11,13H,3-7,9H2,1-2H3
InChIKeyMVMNKINSGFITHD-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.87
Rot. Bonds3

About 3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine

3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine (PubChem CID 134360588) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine.

Molecular Properties

Compound Name3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine
PubChem CID134360588
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine
SMILESCCCNC1(C)C=C2CCC(C2)C1
InChIInChI=1S/C12H21N/c1-3-6-13-12(2)8-10-4-5-11(7-10)9-12/h8,11,13H,3-7,9H2,1-2H3
InChIKeyMVMNKINSGFITHD-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine?
The IUPAC name of 3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine (CID 134360588) is 3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine.
What is the SMILES notation for 3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine?
The canonical SMILES for 3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine is CCCNC1(C)C=C2CCC(C2)C1.
What is the InChIKey of 3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine?
The InChIKey is MVMNKINSGFITHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-6-13-12(2)8-10-4-5-11(7-10)9-12/h8,11,13H,3-7,9H2,1-2H3.
What are the key properties of 3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine?
3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine has a molecular weight of 179.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propylbicyclo[3.2.1]oct-1-en-3-amine is sourced from PubChem (CID 134360588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).