N-(2-ethoxyethyl)-4-methylpentan-2-amine

C10H23NO — CID 43457182

IUPACN-(2-ethoxyethyl)-4-methylpentan-2-amine
SMILESCCOCCNC(C)CC(C)C
InChIInChI=1S/C10H23NO/c1-5-12-7-6-11-10(4)8-9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyVYSNUGIWYZXKEU-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.05
Rot. Bonds7

About N-(2-ethoxyethyl)-4-methylpentan-2-amine

N-(2-ethoxyethyl)-4-methylpentan-2-amine (PubChem CID 43457182) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-methylpentan-2-amine
PubChem CID43457182
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-(2-ethoxyethyl)-4-methylpentan-2-amine
SMILESCCOCCNC(C)CC(C)C
InChIInChI=1S/C10H23NO/c1-5-12-7-6-11-10(4)8-9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyVYSNUGIWYZXKEU-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-methylpentan-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-4-methylpentan-2-amine (CID 43457182) is N-(2-ethoxyethyl)-4-methylpentan-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-4-methylpentan-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-4-methylpentan-2-amine is CCOCCNC(C)CC(C)C.
What is the InChIKey of N-(2-ethoxyethyl)-4-methylpentan-2-amine?
The InChIKey is VYSNUGIWYZXKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-12-7-6-11-10(4)8-9(2)3/h9-11H,5-8H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-4-methylpentan-2-amine?
N-(2-ethoxyethyl)-4-methylpentan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-methylpentan-2-amine is sourced from PubChem (CID 43457182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).