(2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate

C14H25NO3 — CID 115440228

IUPAC(2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate
SMILESCC1CCCCC1OC(=O)C1(CN)CCOCC1
InChIInChI=1S/C14H25NO3/c1-11-4-2-3-5-12(11)18-13(16)14(10-15)6-8-17-9-7-14/h11-12H,2-10,15H2,1H3
InChIKeyRHTHBSVNQJVSSX-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.86
Rot. Bonds3

About (2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate

(2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate (PubChem CID 115440228) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate
PubChem CID115440228
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate
SMILESCC1CCCCC1OC(=O)C1(CN)CCOCC1
InChIInChI=1S/C14H25NO3/c1-11-4-2-3-5-12(11)18-13(16)14(10-15)6-8-17-9-7-14/h11-12H,2-10,15H2,1H3
InChIKeyRHTHBSVNQJVSSX-UHFFFAOYSA-N
XLogP1.86
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

(2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
CID 115446210
(2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
CID 113311275
oxolan-2-ylmethyl 4-(aminomethyl)oxane-4-carboxylate
CID 113310259
(2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate
CID 55179314
[4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone
CID 116602976
(2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161039
oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 113309279
cyclopentyl 1-(aminomethyl)cyclobutane-1-carboxylate
CID 115446204
(2-methylcyclohexyl) carbamate
CID 45090963
3-methylbutan-2-yl 4-(aminomethyl)oxane-4-carboxylate
CID 115440262
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747
(4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate
CID 115436617

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate?
The IUPAC name of (2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate (CID 115440228) is (2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate.
What is the SMILES notation for (2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate?
The canonical SMILES for (2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate is CC1CCCCC1OC(=O)C1(CN)CCOCC1.
What is the InChIKey of (2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate?
The InChIKey is RHTHBSVNQJVSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11-4-2-3-5-12(11)18-13(16)14(10-15)6-8-17-9-7-14/h11-12H,2-10,15H2,1H3.
What are the key properties of (2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate?
(2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate is sourced from PubChem (CID 115440228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).