N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine

C15H29NO2 — CID 55092734

IUPACN-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC1CCCC(OCCNC(C)C2CCCO2)C1
InChIInChI=1S/C15H29NO2/c1-12-5-3-6-14(11-12)17-10-8-16-13(2)15-7-4-9-18-15/h12-16H,3-11H2,1-2H3
InChIKeyCPRFGFDUZYNVJI-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds6

About N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine

N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 55092734) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID55092734
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC1CCCC(OCCNC(C)C2CCCO2)C1
InChIInChI=1S/C15H29NO2/c1-12-5-3-6-14(11-12)17-10-8-16-13(2)15-7-4-9-18-15/h12-16H,3-11H2,1-2H3
InChIKeyCPRFGFDUZYNVJI-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine (CID 55092734) is N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine is CC1CCCC(OCCNC(C)C2CCCO2)C1.
What is the InChIKey of N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is CPRFGFDUZYNVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12-5-3-6-14(11-12)17-10-8-16-13(2)15-7-4-9-18-15/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 55092734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).