(4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium

C14H30N2O+2 — CID 6942742

IUPAC(4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESCCC1CCC([NH2+]CC[NH+]2CCOCC2)CC1
InChIInChI=1S/C14H28N2O/c1-2-13-3-5-14(6-4-13)15-7-8-16-9-11-17-12-10-16/h13-15H,2-12H2,1H3/p+2
InChIKeyRWJMIZKDRSWDLR-UHFFFAOYSA-P
MW242.41 g/mol
LogP-0.57
Rot. Bonds5

About (4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium

(4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium (PubChem CID 6942742) has the molecular formula C14H30N2O+2 and a molecular weight of 242.41 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium
PubChem CID6942742
Molecular FormulaC14H30N2O+2
Molecular Weight242.41 g/mol
Exact Mass242.23
IUPAC Name(4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESCCC1CCC([NH2+]CC[NH+]2CCOCC2)CC1
InChIInChI=1S/C14H28N2O/c1-2-13-3-5-14(6-4-13)15-7-8-16-9-11-17-12-10-16/h13-15H,2-12H2,1H3/p+2
InChIKeyRWJMIZKDRSWDLR-UHFFFAOYSA-P
XLogP-0.57
TPSA30.28 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium?
The IUPAC name of (4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium (CID 6942742) is (4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium.
What is the SMILES notation for (4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium?
The canonical SMILES for (4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium is CCC1CCC([NH2+]CC[NH+]2CCOCC2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium?
The InChIKey is RWJMIZKDRSWDLR-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H28N2O/c1-2-13-3-5-14(6-4-13)15-7-8-16-9-11-17-12-10-16/h13-15H,2-12H2,1H3/p+2.
What are the key properties of (4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium?
(4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium has a molecular weight of 242.41 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(2-morpholin-4-ium-4-ylethyl)azanium is sourced from PubChem (CID 6942742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).