(3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate

C14H25NO3 — CID 113280395

IUPAC(3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate
SMILESCC1CCC(OC(=O)C2(N)CCOCC2)CC1C
InChIInChI=1S/C14H25NO3/c1-10-3-4-12(9-11(10)2)18-13(16)14(15)5-7-17-8-6-14/h10-12H,3-9,15H2,1-2H3
InChIKeyUVVGHRKCMLCQAD-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.86
Rot. Bonds2

About (3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate

(3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate (PubChem CID 113280395) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate
PubChem CID113280395
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate
SMILESCC1CCC(OC(=O)C2(N)CCOCC2)CC1C
InChIInChI=1S/C14H25NO3/c1-10-3-4-12(9-11(10)2)18-13(16)14(15)5-7-17-8-6-14/h10-12H,3-9,15H2,1-2H3
InChIKeyUVVGHRKCMLCQAD-UHFFFAOYSA-N
XLogP1.86
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl 4-aminooxane-4-carboxylate
CID 115292709
(3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate
CID 64890439
oxolan-3-yl 1-aminocyclopropane-1-carboxylate
CID 65453525
(3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762505
(3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate
CID 81161404
(3,4-dimethylcyclohexyl) (2S)-2-aminopropanoate
CID 64745122
oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate
CID 102606951
(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115976998
4-(3,4-dimethylcyclohexyl)oxane-4-carboxylic acid
CID 79425064
5-O-(3,4-dimethylcyclohexyl) 1-O-ethyl pentanedioate
CID 91718107
(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 115295112
(3,4-dimethylcyclohexyl) 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
CID 71672693

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate?
The IUPAC name of (3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate (CID 113280395) is (3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate?
The canonical SMILES for (3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate is CC1CCC(OC(=O)C2(N)CCOCC2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate?
The InChIKey is UVVGHRKCMLCQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-3-4-12(9-11(10)2)18-13(16)14(15)5-7-17-8-6-14/h10-12H,3-9,15H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate?
(3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate is sourced from PubChem (CID 113280395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).