2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine

C11H25NO — CID 19988559

IUPAC2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine
SMILESCCCON(CC(C)C)CC(C)C
InChIInChI=1S/C11H25NO/c1-6-7-13-12(8-10(2)3)9-11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyRAMDEUPZQGUMML-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.94
Rot. Bonds7

About 2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine

2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine (PubChem CID 19988559) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine
PubChem CID19988559
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine
SMILESCCCON(CC(C)C)CC(C)C
InChIInChI=1S/C11H25NO/c1-6-7-13-12(8-10(2)3)9-11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyRAMDEUPZQGUMML-UHFFFAOYSA-N
XLogP2.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine (CID 19988559) is 2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine is CCCON(CC(C)C)CC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine?
The InChIKey is RAMDEUPZQGUMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-7-13-12(8-10(2)3)9-11(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine?
2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine is sourced from PubChem (CID 19988559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).