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

C14H29NO2 — CID 103031485

IUPAC4-methoxy-4-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCCO1
InChIInChI=1S/C14H29NO2/c1-5-10-15-12(13-7-6-11-17-13)8-9-14(2,3)16-4/h12-13,15H,5-11H2,1-4H3
InChIKeyAEHYEVQNMYFVKS-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.74
Rot. Bonds8

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

4-methoxy-4-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine (PubChem CID 103031485) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
PubChem CID103031485
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-methoxy-4-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCCO1
InChIInChI=1S/C14H29NO2/c1-5-10-15-12(13-7-6-11-17-13)8-9-14(2,3)16-4/h12-13,15H,5-11H2,1-4H3
InChIKeyAEHYEVQNMYFVKS-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.74
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-(oxolan-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine (CID 103031485) is 4-methoxy-4-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)C1CCCO1.
What is the InChIKey of 4-methoxy-4-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine?
The InChIKey is AEHYEVQNMYFVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-10-15-12(13-7-6-11-17-13)8-9-14(2,3)16-4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine?
4-methoxy-4-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.74, 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-(oxolan-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 103031485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).