2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine

C14H29NO — CID 116716393

IUPAC2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine
SMILESCCOC(CC)C(N)C1CCCC(CC)C1
InChIInChI=1S/C14H29NO/c1-4-11-8-7-9-12(10-11)14(15)13(5-2)16-6-3/h11-14H,4-10,15H2,1-3H3
InChIKeyHOAFPCOEJNRKOU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.35
Rot. Bonds6

About 2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine

2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine (PubChem CID 116716393) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine
PubChem CID116716393
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine
SMILESCCOC(CC)C(N)C1CCCC(CC)C1
InChIInChI=1S/C14H29NO/c1-4-11-8-7-9-12(10-11)14(15)13(5-2)16-6-3/h11-14H,4-10,15H2,1-3H3
InChIKeyHOAFPCOEJNRKOU-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine?
The IUPAC name of 2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine (CID 116716393) is 2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine is CCOC(CC)C(N)C1CCCC(CC)C1.
What is the InChIKey of 2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine?
The InChIKey is HOAFPCOEJNRKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-11-8-7-9-12(10-11)14(15)13(5-2)16-6-3/h11-14H,4-10,15H2,1-3H3.
What are the key properties of 2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine?
2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine is sourced from PubChem (CID 116716393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).