1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine

C17H27N — CID 63506303

IUPAC1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine
SMILESCNC(C1=CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27N/c1-18-16(15-4-2-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h4,12-14,16,18H,2-3,5-11H2,1H3
InChIKeyONYAVINRGJIBDJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.90
Rot. Bonds3

About 1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine

1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine (PubChem CID 63506303) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine
PubChem CID63506303
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine
SMILESCNC(C1=CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27N/c1-18-16(15-4-2-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h4,12-14,16,18H,2-3,5-11H2,1H3
InChIKeyONYAVINRGJIBDJ-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.90
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

2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine
CID 79988682
1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 81099133
1-(cyclohexen-1-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106827010
1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483460
1-(cyclohexen-1-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 106654422
cycloocten-1-yl-(3-methyl-1-adamantyl)methanol
CID 106657583
1-(1-adamantyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80532686
1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 62796571
1-(cyclopenten-1-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83155090
1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 106654643
1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 106654657
[cycloocten-1-yl-(1-methylcyclopropyl)methyl]hydrazine
CID 106649341

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine (CID 63506303) is 1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine is CNC(C1=CCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine?
The InChIKey is ONYAVINRGJIBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-18-16(15-4-2-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h4,12-14,16,18H,2-3,5-11H2,1H3.
What are the key properties of 1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine?
1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine has a molecular weight of 245.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine is sourced from PubChem (CID 63506303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).