2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

C18H37NO2 — CID 114623534

IUPAC2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCCNC(C(OC)C(C)(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H37NO2/c1-10-11-19-14(15(20-9)16(2,3)4)13-12-17(5,6)21-18(13,7)8/h13-15,19H,10-12H2,1-9H3
InChIKeyCGMZCGDVTNDGCG-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.01
Rot. Bonds6

About 2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 114623534) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID114623534
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCCNC(C(OC)C(C)(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H37NO2/c1-10-11-19-14(15(20-9)16(2,3)4)13-12-17(5,6)21-18(13,7)8/h13-15,19H,10-12H2,1-9H3
InChIKeyCGMZCGDVTNDGCG-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 114623534) is 2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is CCCNC(C(OC)C(C)(C)C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is CGMZCGDVTNDGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-10-11-19-14(15(20-9)16(2,3)4)13-12-17(5,6)21-18(13,7)8/h13-15,19H,10-12H2,1-9H3.
What are the key properties of 2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 299.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 114623534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).