1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine

C12H25NO — CID 79575191

IUPAC1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine
SMILESCC1CCC(C(N)COC(C)C)CC1
InChIInChI=1S/C12H25NO/c1-9(2)14-8-12(13)11-6-4-10(3)5-7-11/h9-12H,4-8,13H2,1-3H3
InChIKeyHLLRJWCFNBFTMY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine

1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine (PubChem CID 79575191) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine
PubChem CID79575191
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine
SMILESCC1CCC(C(N)COC(C)C)CC1
InChIInChI=1S/C12H25NO/c1-9(2)14-8-12(13)11-6-4-10(3)5-7-11/h9-12H,4-8,13H2,1-3H3
InChIKeyHLLRJWCFNBFTMY-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine (CID 79575191) is 1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine is CC1CCC(C(N)COC(C)C)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine?
The InChIKey is HLLRJWCFNBFTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)14-8-12(13)11-6-4-10(3)5-7-11/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine?
1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 79575191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).