(3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate

C15H27NO2 — CID 64731838

IUPAC(3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate
SMILESCC1CC(C)CC(OC(=O)C2CCC(N)CC2)C1
InChIInChI=1S/C15H27NO2/c1-10-7-11(2)9-14(8-10)18-15(17)12-3-5-13(16)6-4-12/h10-14H,3-9,16H2,1-2H3
InChIKeyRQPAXVNWUZCWRH-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.87
Rot. Bonds2

About (3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate

(3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate (PubChem CID 64731838) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate
PubChem CID64731838
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate
SMILESCC1CC(C)CC(OC(=O)C2CCC(N)CC2)C1
InChIInChI=1S/C15H27NO2/c1-10-7-11(2)9-14(8-10)18-15(17)12-3-5-13(16)6-4-12/h10-14H,3-9,16H2,1-2H3
InChIKeyRQPAXVNWUZCWRH-UHFFFAOYSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate
CID 66031402
cyclopropyl cyclopropanecarboxylate
CID 54407874
[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861
cyclobutyl 3-aminocyclopentane-1-carboxylate
CID 66031804
(3,4,5-trimethylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 59929179
[(3R,5S)-3,5-dimethylcyclohexyl] hydrogen carbonate
CID 67795036
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
(3,5-dimethylcyclohexyl) piperidine-2-carboxylate
CID 64732036
CID 59881533
CID 59881533
bis(3,5-dimethylcyclohexyl) (Z)-but-2-enedioate
CID 154928944
(3,3,5-trimethylcyclohexyl) 4-hydroxycyclohexane-1-carboxylate
CID 71616044

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate?
The IUPAC name of (3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate (CID 64731838) is (3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate?
The canonical SMILES for (3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate is CC1CC(C)CC(OC(=O)C2CCC(N)CC2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate?
The InChIKey is RQPAXVNWUZCWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10-7-11(2)9-14(8-10)18-15(17)12-3-5-13(16)6-4-12/h10-14H,3-9,16H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate?
(3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 64731838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).