5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine

C16H31NO — CID 137428516

IUPAC5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCCOC1CCC(CC2CCC(C)CC2)C(N)C1
InChIInChI=1S/C16H31NO/c1-3-18-15-9-8-14(16(17)11-15)10-13-6-4-12(2)5-7-13/h12-16H,3-11,17H2,1-2H3
InChIKeyNGGSWYKYLJGLAN-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.74
Rot. Bonds4

About 5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine

5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine (PubChem CID 137428516) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
PubChem CID137428516
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCCOC1CCC(CC2CCC(C)CC2)C(N)C1
InChIInChI=1S/C16H31NO/c1-3-18-15-9-8-14(16(17)11-15)10-13-6-4-12(2)5-7-13/h12-16H,3-11,17H2,1-2H3
InChIKeyNGGSWYKYLJGLAN-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine?
The IUPAC name of 5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine (CID 137428516) is 5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine is CCOC1CCC(CC2CCC(C)CC2)C(N)C1.
What is the InChIKey of 5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine?
The InChIKey is NGGSWYKYLJGLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-18-15-9-8-14(16(17)11-15)10-13-6-4-12(2)5-7-13/h12-16H,3-11,17H2,1-2H3.
What are the key properties of 5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine?
5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 137428516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).