N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine

C13H29NO2 — CID 155085385

IUPACN-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine
SMILESCCCON(C)CCCOC(C)(C)CCC
InChIInChI=1S/C13H29NO2/c1-6-9-13(3,4)15-12-8-10-14(5)16-11-7-2/h6-12H2,1-5H3
InChIKeyJDPMSZJHCLYCHG-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.25
Rot. Bonds10

About N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine

N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine (PubChem CID 155085385) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine
PubChem CID155085385
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine
SMILESCCCON(C)CCCOC(C)(C)CCC
InChIInChI=1S/C13H29NO2/c1-6-9-13(3,4)15-12-8-10-14(5)16-11-7-2/h6-12H2,1-5H3
InChIKeyJDPMSZJHCLYCHG-UHFFFAOYSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine?
The IUPAC name of N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine (CID 155085385) is N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine.
What is the SMILES notation for N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine?
The canonical SMILES for N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine is CCCON(C)CCCOC(C)(C)CCC.
What is the InChIKey of N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine?
The InChIKey is JDPMSZJHCLYCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-9-13(3,4)15-12-8-10-14(5)16-11-7-2/h6-12H2,1-5H3.
What are the key properties of N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine?
N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.25, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine is sourced from PubChem (CID 155085385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).