N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine

C13H27NO — CID 91341638

IUPACN-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine
SMILESCCCC1C(C)OCC1(C)CN(C)CC
InChIInChI=1S/C13H27NO/c1-6-8-12-11(3)15-10-13(12,4)9-14(5)7-2/h11-12H,6-10H2,1-5H3
InChIKeyIINRGUKXJPXIAM-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.78
Rot. Bonds5

About N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine

N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine (PubChem CID 91341638) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine
PubChem CID91341638
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine
SMILESCCCC1C(C)OCC1(C)CN(C)CC
InChIInChI=1S/C13H27NO/c1-6-8-12-11(3)15-10-13(12,4)9-14(5)7-2/h11-12H,6-10H2,1-5H3
InChIKeyIINRGUKXJPXIAM-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine?
The IUPAC name of N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine (CID 91341638) is N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine is CCCC1C(C)OCC1(C)CN(C)CC.
What is the InChIKey of N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine?
The InChIKey is IINRGUKXJPXIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-8-12-11(3)15-10-13(12,4)9-14(5)7-2/h11-12H,6-10H2,1-5H3.
What are the key properties of N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine?
N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine has a molecular weight of 213.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 91341638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).