N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

C14H31NO2 — CID 63618860

IUPACN-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCOC(CN(CC(C)C)CC(C)C)OCC
InChIInChI=1S/C14H31NO2/c1-7-16-14(17-8-2)11-15(9-12(3)4)10-13(5)6/h12-14H,7-11H2,1-6H3
InChIKeyUQZDCUGQERSJFR-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.00
Rot. Bonds10

About N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 63618860) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID63618860
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC NameN-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCOC(CN(CC(C)C)CC(C)C)OCC
InChIInChI=1S/C14H31NO2/c1-7-16-14(17-8-2)11-15(9-12(3)4)10-13(5)6/h12-14H,7-11H2,1-6H3
InChIKeyUQZDCUGQERSJFR-UHFFFAOYSA-N
XLogP3.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 63618860) is N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is CCOC(CN(CC(C)C)CC(C)C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is UQZDCUGQERSJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-7-16-14(17-8-2)11-15(9-12(3)4)10-13(5)6/h12-14H,7-11H2,1-6H3.
What are the key properties of N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.00, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 63618860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).