3-cyclohexyladamantan-1-amine;hydrochloride

C16H28ClN — CID 19990381

IUPAC3-cyclohexyladamantan-1-amine;hydrochloride
SMILESCl.NC12CC3CC(C1)CC(C1CCCCC1)(C3)C2
InChIInChI=1S/C16H27N.ClH/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14;/h12-14H,1-11,17H2;1H
InChIKeyXUONURYAKCELNT-UHFFFAOYSA-N
MW269.86 g/mol
LogP4.29
Rot. Bonds1

About 3-cyclohexyladamantan-1-amine;hydrochloride

3-cyclohexyladamantan-1-amine;hydrochloride (PubChem CID 19990381) has the molecular formula C16H28ClN and a molecular weight of 269.86 g/mol. Its IUPAC name is 3-cyclohexyladamantan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyladamantan-1-amine;hydrochloride
PubChem CID19990381
Molecular FormulaC16H28ClN
Molecular Weight269.86 g/mol
Exact Mass269.19
IUPAC Name3-cyclohexyladamantan-1-amine;hydrochloride
SMILESCl.NC12CC3CC(C1)CC(C1CCCCC1)(C3)C2
InChIInChI=1S/C16H27N.ClH/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14;/h12-14H,1-11,17H2;1H
InChIKeyXUONURYAKCELNT-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.86
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyladamantan-1-amine;hydrochloride?
The IUPAC name of 3-cyclohexyladamantan-1-amine;hydrochloride (CID 19990381) is 3-cyclohexyladamantan-1-amine;hydrochloride.
What is the SMILES notation for 3-cyclohexyladamantan-1-amine;hydrochloride?
The canonical SMILES for 3-cyclohexyladamantan-1-amine;hydrochloride is Cl.NC12CC3CC(C1)CC(C1CCCCC1)(C3)C2.
What is the InChIKey of 3-cyclohexyladamantan-1-amine;hydrochloride?
The InChIKey is XUONURYAKCELNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N.ClH/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14;/h12-14H,1-11,17H2;1H.
What are the key properties of 3-cyclohexyladamantan-1-amine;hydrochloride?
3-cyclohexyladamantan-1-amine;hydrochloride has a molecular weight of 269.86 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyladamantan-1-amine;hydrochloride is sourced from PubChem (CID 19990381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).