1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine

C15H21N — CID 163749206

IUPAC1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine
SMILESCC(N)(C1=CC=CCC=C1)C1CC=CCC1
InChIInChI=1S/C15H21N/c1-15(16,14-11-7-4-8-12-14)13-9-5-2-3-6-10-13/h2,4-7,9-10,14H,3,8,11-12,16H2,1H3
InChIKeyLONPHFWCAWEVEO-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.50
Rot. Bonds2

About 1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine

1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine (PubChem CID 163749206) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine.

Molecular Properties

Compound Name1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine
PubChem CID163749206
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine
SMILESCC(N)(C1=CC=CCC=C1)C1CC=CCC1
InChIInChI=1S/C15H21N/c1-15(16,14-11-7-4-8-12-14)13-9-5-2-3-6-10-13/h2,4-7,9-10,14H,3,8,11-12,16H2,1H3
InChIKeyLONPHFWCAWEVEO-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine with MolForge

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Related Compounds

3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene
CID 91047474
boric acid;4-tert-butylcyclohexene
CID 161132440
3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen
CID 142926551
cyclohepta-1,3,6-trien-1-amine
CID 141371533
1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;4-tert-butylcyclohexene
CID 167642052
3-(disulfanyl)cyclohepta-1,3,5-triene
CID 123978767
ethane;ethene;3-methylcyclohepta-1,3,5-triene
CID 144635732
4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene
CID 163646456
cyclohepta-1,3,6-triene-1-carboxamide;ethane
CID 143923802
(5E,8E,11E)-15-[(3Z,5E,8E,11E)-2-oxo-14-propyl-1-oxacyclotetradeca-3,5,8,11-tetraen-3-yl]-1-oxacyclopentadeca-5,8,11-trien-2-one
CID 170254856
2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine
CID 114706530
cycloocta-1,5-diene;cyclopenta-1,3-diene
CID 158343600

Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine?
The IUPAC name of 1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine (CID 163749206) is 1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine.
What is the SMILES notation for 1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine?
The canonical SMILES for 1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine is CC(N)(C1=CC=CCC=C1)C1CC=CCC1.
What is the InChIKey of 1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine?
The InChIKey is LONPHFWCAWEVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-15(16,14-11-7-4-8-12-14)13-9-5-2-3-6-10-13/h2,4-7,9-10,14H,3,8,11-12,16H2,1H3.
What are the key properties of 1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine?
1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine has a molecular weight of 215.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine is sourced from PubChem (CID 163749206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).