1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine

C19H33N — CID 63416108

IUPAC1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33N/c1-20-18(10-14-5-3-2-4-6-14)19-11-15-7-16(12-19)9-17(8-15)13-19/h14-18,20H,2-13H2,1H3
InChIKeyQLTOKWUJPGJWNQ-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.76
Rot. Bonds4

About 1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine

1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine (PubChem CID 63416108) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine
PubChem CID63416108
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33N/c1-20-18(10-14-5-3-2-4-6-14)19-11-15-7-16(12-19)9-17(8-15)13-19/h14-18,20H,2-13H2,1H3
InChIKeyQLTOKWUJPGJWNQ-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine?
The IUPAC name of 1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine (CID 63416108) is 1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine is CNC(CC1CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine?
The InChIKey is QLTOKWUJPGJWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-20-18(10-14-5-3-2-4-6-14)19-11-15-7-16(12-19)9-17(8-15)13-19/h14-18,20H,2-13H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine?
1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine has a molecular weight of 275.48 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine is sourced from PubChem (CID 63416108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).