bicyclo[2.2.1]heptane;cyclohexane;ethanamine

C21H52N4 — CID 159865221

IUPACbicyclo[2.2.1]heptane;cyclohexane;ethanamine
SMILESC1CC2CCC1C2.C1CCCCC1.CCN.CCN.CCN.CCN
InChIInChI=1S/C7H12.C6H12.4C2H7N/c1-2-7-4-3-6(1)5-7;1-2-4-6-5-3-1;4*1-2-3/h6-7H,1-5H2;1-6H2;4*2-3H2,1H3
InChIKeyNRQLTHQOLXJRJB-UHFFFAOYSA-N
MW360.68 g/mol
LogP4.40
Rot. Bonds

About bicyclo[2.2.1]heptane;cyclohexane;ethanamine

bicyclo[2.2.1]heptane;cyclohexane;ethanamine (PubChem CID 159865221) has the molecular formula C21H52N4 and a molecular weight of 360.68 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane;cyclohexane;ethanamine.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane;cyclohexane;ethanamine
PubChem CID159865221
Molecular FormulaC21H52N4
Molecular Weight360.68 g/mol
Exact Mass360.42
IUPAC Namebicyclo[2.2.1]heptane;cyclohexane;ethanamine
SMILESC1CC2CCC1C2.C1CCCCC1.CCN.CCN.CCN.CCN
InChIInChI=1S/C7H12.C6H12.4C2H7N/c1-2-7-4-3-6(1)5-7;1-2-4-6-5-3-1;4*1-2-3/h6-7H,1-5H2;1-6H2;4*2-3H2,1H3
InChIKeyNRQLTHQOLXJRJB-UHFFFAOYSA-N
XLogP4.40
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze bicyclo[2.2.1]heptane;cyclohexane;ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane;cyclohexane;ethanamine?
The IUPAC name of bicyclo[2.2.1]heptane;cyclohexane;ethanamine (CID 159865221) is bicyclo[2.2.1]heptane;cyclohexane;ethanamine.
What is the SMILES notation for bicyclo[2.2.1]heptane;cyclohexane;ethanamine?
The canonical SMILES for bicyclo[2.2.1]heptane;cyclohexane;ethanamine is C1CC2CCC1C2.C1CCCCC1.CCN.CCN.CCN.CCN.
What is the InChIKey of bicyclo[2.2.1]heptane;cyclohexane;ethanamine?
The InChIKey is NRQLTHQOLXJRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C6H12.4C2H7N/c1-2-7-4-3-6(1)5-7;1-2-4-6-5-3-1;4*1-2-3/h6-7H,1-5H2;1-6H2;4*2-3H2,1H3.
What are the key properties of bicyclo[2.2.1]heptane;cyclohexane;ethanamine?
bicyclo[2.2.1]heptane;cyclohexane;ethanamine has a molecular weight of 360.68 g/mol, XLogP of 4.40, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane;cyclohexane;ethanamine is sourced from PubChem (CID 159865221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).