ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine

C15H31N — CID 142066494

IUPACethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESC=C(C)C1C2CCC(C2)C1NC.CC.CC
InChIInChI=1S/C11H19N.2C2H6/c1-7(2)10-8-4-5-9(6-8)11(10)12-3;2*1-2/h8-12H,1,4-6H2,2-3H3;2*1-2H3
InChIKeyYWCIGZDYZSSAMB-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.25
Rot. Bonds2

About ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine

ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine (PubChem CID 142066494) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Nameethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine
PubChem CID142066494
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Nameethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESC=C(C)C1C2CCC(C2)C1NC.CC.CC
InChIInChI=1S/C11H19N.2C2H6/c1-7(2)10-8-4-5-9(6-8)11(10)12-3;2*1-2/h8-12H,1,4-6H2,2-3H3;2*1-2H3
InChIKeyYWCIGZDYZSSAMB-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.25
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 ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine (CID 142066494) is ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine is C=C(C)C1C2CCC(C2)C1NC.CC.CC.
What is the InChIKey of ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is YWCIGZDYZSSAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.2C2H6/c1-7(2)10-8-4-5-9(6-8)11(10)12-3;2*1-2/h8-12H,1,4-6H2,2-3H3;2*1-2H3.
What are the key properties of ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine?
ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 142066494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).