1-(1-cyclopentyl-2-methylpropyl)adamantane

C19H32 — CID 57073225

IUPAC1-(1-cyclopentyl-2-methylpropyl)adamantane
SMILESCC(C)C(C1CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32/c1-13(2)18(17-5-3-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h13-18H,3-12H2,1-2H3
InChIKeyIZKQKYDBZLZQAS-UHFFFAOYSA-N
MW260.46 g/mol
LogP5.67
Rot. Bonds3

About 1-(1-cyclopentyl-2-methylpropyl)adamantane

1-(1-cyclopentyl-2-methylpropyl)adamantane (PubChem CID 57073225) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1-(1-cyclopentyl-2-methylpropyl)adamantane.

Molecular Properties

Compound Name1-(1-cyclopentyl-2-methylpropyl)adamantane
PubChem CID57073225
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1-(1-cyclopentyl-2-methylpropyl)adamantane
SMILESCC(C)C(C1CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32/c1-13(2)18(17-5-3-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h13-18H,3-12H2,1-2H3
InChIKeyIZKQKYDBZLZQAS-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[1-(1-adamantyl)ethyl]cyclohexanamine
CID 11777452
1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923
(1R)-1-(1-adamantyl)ethanamine
CID 7048786
1-[(1R)-1-chloroethyl]adamantane
CID 94672919
N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008374
[1-adamantyl(cyclobutyl)methyl]hydrazine
CID 105214526
1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine
CID 63416108
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
1-cyclopropylethylcyclopentane
CID 147777183
1-cyclopentylethylcyclohexane
CID 57034702
N'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide
CID 108504332
1-(1-adamantyl)-2,2-dimethylpropan-1-amine
CID 12619343

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-2-methylpropyl)adamantane?
The IUPAC name of 1-(1-cyclopentyl-2-methylpropyl)adamantane (CID 57073225) is 1-(1-cyclopentyl-2-methylpropyl)adamantane.
What is the SMILES notation for 1-(1-cyclopentyl-2-methylpropyl)adamantane?
The canonical SMILES for 1-(1-cyclopentyl-2-methylpropyl)adamantane is CC(C)C(C1CCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-cyclopentyl-2-methylpropyl)adamantane?
The InChIKey is IZKQKYDBZLZQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-13(2)18(17-5-3-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h13-18H,3-12H2,1-2H3.
What are the key properties of 1-(1-cyclopentyl-2-methylpropyl)adamantane?
1-(1-cyclopentyl-2-methylpropyl)adamantane has a molecular weight of 260.46 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-2-methylpropyl)adamantane is sourced from PubChem (CID 57073225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).