2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine

C20H33N — CID 79988682

IUPAC2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine
SMILESCNC(CC12CC3CC(CC(C3)C1)C2)C1=CCCCCC1
InChIInChI=1S/C20H33N/c1-21-19(18-6-4-2-3-5-7-18)14-20-11-15-8-16(12-20)10-17(9-15)13-20/h6,15-17,19,21H,2-5,7-14H2,1H3
InChIKeyFTUSOYMWZCLNMX-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.07
Rot. Bonds4

About 2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine

2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine (PubChem CID 79988682) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine
PubChem CID79988682
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine
SMILESCNC(CC12CC3CC(CC(C3)C1)C2)C1=CCCCCC1
InChIInChI=1S/C20H33N/c1-21-19(18-6-4-2-3-5-7-18)14-20-11-15-8-16(12-20)10-17(9-15)13-20/h6,15-17,19,21H,2-5,7-14H2,1H3
InChIKeyFTUSOYMWZCLNMX-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cycloocten-1-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106653108
1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine
CID 63506303
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673
2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79988415
2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine
CID 63504992
1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 81099133
1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine
CID 106653171
2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
CID 79988409
1-[(1E)-cycloocten-1-yl]-N-methyl-2-phenylsulfanylethanamine
CID 106653191
1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106652784
1-(cycloocten-1-yl)-N-methylethanamine
CID 106652570
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 106654780

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine?
The IUPAC name of 2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine (CID 79988682) is 2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine is CNC(CC12CC3CC(CC(C3)C1)C2)C1=CCCCCC1.
What is the InChIKey of 2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine?
The InChIKey is FTUSOYMWZCLNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-21-19(18-6-4-2-3-5-7-18)14-20-11-15-8-16(12-20)10-17(9-15)13-20/h6,15-17,19,21H,2-5,7-14H2,1H3.
What are the key properties of 2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine?
2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine is sourced from PubChem (CID 79988682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).