N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine

C15H31NO — CID 81029725

IUPACN-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine
SMILESCCOCC1CC(CC)CCC1CNC(C)C
InChIInChI=1S/C15H31NO/c1-5-13-7-8-14(10-16-12(3)4)15(9-13)11-17-6-2/h12-16H,5-11H2,1-4H3
InChIKeyYXXUQRXZRZNYLR-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds7

About N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine

N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine (PubChem CID 81029725) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine
PubChem CID81029725
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine
SMILESCCOCC1CC(CC)CCC1CNC(C)C
InChIInChI=1S/C15H31NO/c1-5-13-7-8-14(10-16-12(3)4)15(9-13)11-17-6-2/h12-16H,5-11H2,1-4H3
InChIKeyYXXUQRXZRZNYLR-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine (CID 81029725) is N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine is CCOCC1CC(CC)CCC1CNC(C)C.
What is the InChIKey of N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine?
The InChIKey is YXXUQRXZRZNYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-13-7-8-14(10-16-12(3)4)15(9-13)11-17-6-2/h12-16H,5-11H2,1-4H3.
What are the key properties of N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine?
N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81029725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).