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

C9H21NO — CID 43190116

IUPACN-(2-methoxyethyl)-4-methylpentan-2-amine
SMILESCOCCNC(C)CC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)7-9(3)10-5-6-11-4/h8-10H,5-7H2,1-4H3
InChIKeyJACAWGIENROUAD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds6

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

N-(2-methoxyethyl)-4-methylpentan-2-amine (PubChem CID 43190116) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methylpentan-2-amine
PubChem CID43190116
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-(2-methoxyethyl)-4-methylpentan-2-amine
SMILESCOCCNC(C)CC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)7-9(3)10-5-6-11-4/h8-10H,5-7H2,1-4H3
InChIKeyJACAWGIENROUAD-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.66
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-methoxyethyl)-4-methylpentan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methylpentan-2-amine (CID 43190116) is N-(2-methoxyethyl)-4-methylpentan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methylpentan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methylpentan-2-amine is COCCNC(C)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4-methylpentan-2-amine?
The InChIKey is JACAWGIENROUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2)7-9(3)10-5-6-11-4/h8-10H,5-7H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-4-methylpentan-2-amine?
N-(2-methoxyethyl)-4-methylpentan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methylpentan-2-amine is sourced from PubChem (CID 43190116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).