4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine

C12H25NO2 — CID 104530318

IUPAC4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
SMILESCOC1CCC(NCC(C)(C)OC)CC1
InChIInChI=1S/C12H25NO2/c1-12(2,15-4)9-13-10-5-7-11(14-3)8-6-10/h10-11,13H,5-9H2,1-4H3
InChIKeyPXQUJFPUENKAKN-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds5

About 4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine

4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine (PubChem CID 104530318) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
PubChem CID104530318
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
SMILESCOC1CCC(NCC(C)(C)OC)CC1
InChIInChI=1S/C12H25NO2/c1-12(2,15-4)9-13-10-5-7-11(14-3)8-6-10/h10-11,13H,5-9H2,1-4H3
InChIKeyPXQUJFPUENKAKN-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 115656258
3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide
CID 104530552
N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine
CID 103036979
1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-ol
CID 65107402
4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine
CID 104530194
N-(2,2-diethoxyethyl)-4-methoxycyclohexan-1-amine
CID 113414407
1-(cyclopropylamino)-4-methoxy-4-methylpentan-2-ol
CID 106676447
4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine
CID 103037173
N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine
CID 104530610
N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine
CID 106676406
methoxycyclooctane
CID 551195
N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine
CID 104530181

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine (CID 104530318) is 4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine is COC1CCC(NCC(C)(C)OC)CC1.
What is the InChIKey of 4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine?
The InChIKey is PXQUJFPUENKAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,15-4)9-13-10-5-7-11(14-3)8-6-10/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine?
4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 104530318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).