3-cyclohexyl-5-phenyladamantan-1-amine

C22H31N — CID 10357994

IUPAC3-cyclohexyl-5-phenyladamantan-1-amine
SMILESNC12CC3CC(c4ccccc4)(C1)CC(C1CCCCC1)(C3)C2
InChIInChI=1S/C22H31N/c23-22-13-17-11-20(15-22,18-7-3-1-4-8-18)14-21(12-17,16-22)19-9-5-2-6-10-19/h1,3-4,7-8,17,19H,2,5-6,9-16,23H2
InChIKeyGECBZEYAMKSLFJ-UHFFFAOYSA-N
MW309.50 g/mol
LogP5.19
Rot. Bonds2

About 3-cyclohexyl-5-phenyladamantan-1-amine

3-cyclohexyl-5-phenyladamantan-1-amine (PubChem CID 10357994) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is 3-cyclohexyl-5-phenyladamantan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-5-phenyladamantan-1-amine
PubChem CID10357994
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC Name3-cyclohexyl-5-phenyladamantan-1-amine
SMILESNC12CC3CC(c4ccccc4)(C1)CC(C1CCCCC1)(C3)C2
InChIInChI=1S/C22H31N/c23-22-13-17-11-20(15-22,18-7-3-1-4-8-18)14-21(12-17,16-22)19-9-5-2-6-10-19/h1,3-4,7-8,17,19H,2,5-6,9-16,23H2
InChIKeyGECBZEYAMKSLFJ-UHFFFAOYSA-N
XLogP5.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-phenyladamantan-1-amine?
The IUPAC name of 3-cyclohexyl-5-phenyladamantan-1-amine (CID 10357994) is 3-cyclohexyl-5-phenyladamantan-1-amine.
What is the SMILES notation for 3-cyclohexyl-5-phenyladamantan-1-amine?
The canonical SMILES for 3-cyclohexyl-5-phenyladamantan-1-amine is NC12CC3CC(c4ccccc4)(C1)CC(C1CCCCC1)(C3)C2.
What is the InChIKey of 3-cyclohexyl-5-phenyladamantan-1-amine?
The InChIKey is GECBZEYAMKSLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N/c23-22-13-17-11-20(15-22,18-7-3-1-4-8-18)14-21(12-17,16-22)19-9-5-2-6-10-19/h1,3-4,7-8,17,19H,2,5-6,9-16,23H2.
What are the key properties of 3-cyclohexyl-5-phenyladamantan-1-amine?
3-cyclohexyl-5-phenyladamantan-1-amine has a molecular weight of 309.50 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-phenyladamantan-1-amine is sourced from PubChem (CID 10357994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).