2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine

C15H29NO2 — CID 64731405

IUPAC2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC1CC(C)CC(OCCNCC2CCOC2)C1
InChIInChI=1S/C15H29NO2/c1-12-7-13(2)9-15(8-12)18-6-4-16-10-14-3-5-17-11-14/h12-16H,3-11H2,1-2H3
InChIKeyPORVWXMOEJDWIP-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.45
Rot. Bonds6

About 2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine

2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 64731405) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID64731405
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC1CC(C)CC(OCCNCC2CCOC2)C1
InChIInChI=1S/C15H29NO2/c1-12-7-13(2)9-15(8-12)18-6-4-16-10-14-3-5-17-11-14/h12-16H,3-11H2,1-2H3
InChIKeyPORVWXMOEJDWIP-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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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Related Compounds

2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
N-(oxolan-3-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine
CID 62584158
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
1-(3-methylcyclohexyl)oxy-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54914266
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490796
2-(2,4-dimethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62560487
2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine
CID 62598671
2-methoxy-N-[2-(oxolan-3-yloxy)ethyl]ethanamine
CID 63558119

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine (CID 64731405) is 2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine is CC1CC(C)CC(OCCNCC2CCOC2)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is PORVWXMOEJDWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12-7-13(2)9-15(8-12)18-6-4-16-10-14-3-5-17-11-14/h12-16H,3-11H2,1-2H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine?
2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 64731405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).