1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine

C11H23NO — CID 91572209

IUPAC1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine
SMILESCCCC1C(C)OCC1(C)CNC
InChIInChI=1S/C11H23NO/c1-5-6-10-9(2)13-8-11(10,3)7-12-4/h9-10,12H,5-8H2,1-4H3
InChIKeyPFMQUULYXUEZNU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds4

About 1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine

1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine (PubChem CID 91572209) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine
PubChem CID91572209
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine
SMILESCCCC1C(C)OCC1(C)CNC
InChIInChI=1S/C11H23NO/c1-5-6-10-9(2)13-8-11(10,3)7-12-4/h9-10,12H,5-8H2,1-4H3
InChIKeyPFMQUULYXUEZNU-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine (CID 91572209) is 1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine is CCCC1C(C)OCC1(C)CNC.
What is the InChIKey of 1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine?
The InChIKey is PFMQUULYXUEZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-10-9(2)13-8-11(10,3)7-12-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine?
1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 91572209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).