4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine

C16H33NO2 — CID 103035953

IUPAC4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1(C)CCCCO1
InChIInChI=1S/C16H33NO2/c1-6-12-17-14(9-11-15(2,3)18-5)16(4)10-7-8-13-19-16/h14,17H,6-13H2,1-5H3
InChIKeyKVJXSAWRABRJRI-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.52
Rot. Bonds8

About 4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine

4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine (PubChem CID 103035953) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine
PubChem CID103035953
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1(C)CCCCO1
InChIInChI=1S/C16H33NO2/c1-6-12-17-14(9-11-15(2,3)18-5)16(4)10-7-8-13-19-16/h14,17H,6-13H2,1-5H3
InChIKeyKVJXSAWRABRJRI-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine (CID 103035953) is 4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)C1(C)CCCCO1.
What is the InChIKey of 4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine?
The InChIKey is KVJXSAWRABRJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-6-12-17-14(9-11-15(2,3)18-5)16(4)10-7-8-13-19-16/h14,17H,6-13H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine?
4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine has a molecular weight of 271.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 103035953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).