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

C19H31N — CID 81099133

IUPAC1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31N/c1-20-19(15-6-4-2-3-5-7-15)18-16-9-13-8-14(11-16)12-17(18)10-13/h6,13-14,16-20H,2-5,7-12H2,1H3
InChIKeyOKYGOKXPWDEXQL-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.54
Rot. Bonds3

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

1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine (PubChem CID 81099133) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
PubChem CID81099133
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31N/c1-20-19(15-6-4-2-3-5-7-15)18-16-9-13-8-14(11-16)12-17(18)10-13/h6,13-14,16-20H,2-5,7-12H2,1H3
InChIKeyOKYGOKXPWDEXQL-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.54
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)-N-methyl-1-(oxolan-3-yl)methanamine
CID 106653223
[2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methyl]hydrazine
CID 106649507
1-(cycloocten-1-yl)-N-methylethanamine
CID 106652570
1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine
CID 106657108
1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 106654139
2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine
CID 79988682
1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 106653848
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 66396114
1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine
CID 63506303
[3-bicyclo[3.1.0]hexanyl(cyclohepten-1-yl)methyl]hydrazine
CID 106650217
2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine
CID 63504992
[cycloocten-1-yl-(3-methylcyclopentyl)methyl]hydrazine
CID 106649073

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine (CID 81099133) is 1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine is CNC(C1=CCCCCC1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine?
The InChIKey is OKYGOKXPWDEXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-20-19(15-6-4-2-3-5-7-15)18-16-9-13-8-14(11-16)12-17(18)10-13/h6,13-14,16-20H,2-5,7-12H2,1H3.
What are the key properties of 1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine?
1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine is sourced from PubChem (CID 81099133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).