N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine

C9H21NO — CID 58320112

IUPACN-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine
SMILESCCON(C(C)C)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-7-11-10(8(2)3)9(4,5)6/h8H,7H2,1-6H3
InChIKeyDSMWZCLMGJSBEJ-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.45
Rot. Bonds3

About N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine

N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine (PubChem CID 58320112) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine
PubChem CID58320112
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine
SMILESCCON(C(C)C)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-7-11-10(8(2)3)9(4,5)6/h8H,7H2,1-6H3
InChIKeyDSMWZCLMGJSBEJ-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.45
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 N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine (CID 58320112) is N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine is CCON(C(C)C)C(C)(C)C.
What is the InChIKey of N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine?
The InChIKey is DSMWZCLMGJSBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7-11-10(8(2)3)9(4,5)6/h8H,7H2,1-6H3.
What are the key properties of N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine?
N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 58320112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).