3-(2-ethylcyclohexyl)oxybutan-1-amine

C12H25NO — CID 114995089

IUPAC3-(2-ethylcyclohexyl)oxybutan-1-amine
SMILESCCC1CCCCC1OC(C)CCN
InChIInChI=1S/C12H25NO/c1-3-11-6-4-5-7-12(11)14-10(2)8-9-13/h10-12H,3-9,13H2,1-2H3
InChIKeyJYWIUMJFQZXQGO-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds5

About 3-(2-ethylcyclohexyl)oxybutan-1-amine

3-(2-ethylcyclohexyl)oxybutan-1-amine (PubChem CID 114995089) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)oxybutan-1-amine.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)oxybutan-1-amine
PubChem CID114995089
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(2-ethylcyclohexyl)oxybutan-1-amine
SMILESCCC1CCCCC1OC(C)CCN
InChIInChI=1S/C12H25NO/c1-3-11-6-4-5-7-12(11)14-10(2)8-9-13/h10-12H,3-9,13H2,1-2H3
InChIKeyJYWIUMJFQZXQGO-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)oxybutan-1-amine?
The IUPAC name of 3-(2-ethylcyclohexyl)oxybutan-1-amine (CID 114995089) is 3-(2-ethylcyclohexyl)oxybutan-1-amine.
What is the SMILES notation for 3-(2-ethylcyclohexyl)oxybutan-1-amine?
The canonical SMILES for 3-(2-ethylcyclohexyl)oxybutan-1-amine is CCC1CCCCC1OC(C)CCN.
What is the InChIKey of 3-(2-ethylcyclohexyl)oxybutan-1-amine?
The InChIKey is JYWIUMJFQZXQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-11-6-4-5-7-12(11)14-10(2)8-9-13/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 3-(2-ethylcyclohexyl)oxybutan-1-amine?
3-(2-ethylcyclohexyl)oxybutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)oxybutan-1-amine is sourced from PubChem (CID 114995089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).