(4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate

C15H27NO2 — CID 114341350

IUPAC(4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCC1(C)CCC(OC(=O)C2(C)CCCC2N)CC1
InChIInChI=1S/C15H27NO2/c1-14(2)9-6-11(7-10-14)18-13(17)15(3)8-4-5-12(15)16/h11-12H,4-10,16H2,1-3H3
InChIKeyKJWNAWADKHMSRN-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.02
Rot. Bonds2

About (4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate

(4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate (PubChem CID 114341350) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate
PubChem CID114341350
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCC1(C)CCC(OC(=O)C2(C)CCCC2N)CC1
InChIInChI=1S/C15H27NO2/c1-14(2)9-6-11(7-10-14)18-13(17)15(3)8-4-5-12(15)16/h11-12H,4-10,16H2,1-3H3
InChIKeyKJWNAWADKHMSRN-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate?
The IUPAC name of (4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate (CID 114341350) is (4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for (4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for (4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate is CC1(C)CCC(OC(=O)C2(C)CCCC2N)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate?
The InChIKey is KJWNAWADKHMSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2)9-6-11(7-10-14)18-13(17)15(3)8-4-5-12(15)16/h11-12H,4-10,16H2,1-3H3.
What are the key properties of (4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate?
(4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 114341350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).