1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine

C20H35N — CID 63462111

IUPAC1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CNC(C)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H35N/c1-14-3-5-16(6-4-14)13-21-15(2)20-10-17-7-18(11-20)9-19(8-17)12-20/h14-19,21H,3-13H2,1-2H3
InChIKeyIEBJRVBZDISPDD-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.01
Rot. Bonds4

About 1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine

1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 63462111) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
PubChem CID63462111
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CNC(C)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H35N/c1-14-3-5-16(6-4-14)13-21-15(2)20-10-17-7-18(11-20)9-19(8-17)12-20/h14-19,21H,3-13H2,1-2H3
InChIKeyIEBJRVBZDISPDD-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine (CID 63462111) is 1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine is CC1CCC(CNC(C)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is IEBJRVBZDISPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-14-3-5-16(6-4-14)13-21-15(2)20-10-17-7-18(11-20)9-19(8-17)12-20/h14-19,21H,3-13H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 289.51 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 63462111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).