N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine

C15H31NO — CID 55072973

IUPACN-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
SMILESCCC1CCCCC1OC(C)CNC(C)(C)C
InChIInChI=1S/C15H31NO/c1-6-13-9-7-8-10-14(13)17-12(2)11-16-15(3,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyFJGCRCQQLNYGOY-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds5

About N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine

N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine (PubChem CID 55072973) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
PubChem CID55072973
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
SMILESCCC1CCCCC1OC(C)CNC(C)(C)C
InChIInChI=1S/C15H31NO/c1-6-13-9-7-8-10-14(13)17-12(2)11-16-15(3,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyFJGCRCQQLNYGOY-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine (CID 55072973) is N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine is CCC1CCCCC1OC(C)CNC(C)(C)C.
What is the InChIKey of N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine?
The InChIKey is FJGCRCQQLNYGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-13-9-7-8-10-14(13)17-12(2)11-16-15(3,4)5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine?
N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55072973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).