5-ethoxy-N,2-dimethylpentan-2-amine

C9H21NO — CID 135220051

IUPAC5-ethoxy-N,2-dimethylpentan-2-amine
SMILESCCOCCCC(C)(C)NC
InChIInChI=1S/C9H21NO/c1-5-11-8-6-7-9(2,3)10-4/h10H,5-8H2,1-4H3
InChIKeyFSSUROULUZKUES-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds6

About 5-ethoxy-N,2-dimethylpentan-2-amine

5-ethoxy-N,2-dimethylpentan-2-amine (PubChem CID 135220051) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 5-ethoxy-N,2-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-ethoxy-N,2-dimethylpentan-2-amine
PubChem CID135220051
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name5-ethoxy-N,2-dimethylpentan-2-amine
SMILESCCOCCCC(C)(C)NC
InChIInChI=1S/C9H21NO/c1-5-11-8-6-7-9(2,3)10-4/h10H,5-8H2,1-4H3
InChIKeyFSSUROULUZKUES-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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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Related Compounds

1-ethoxy-4,4-dimethylhexane
CID 89037329
5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
CID 106806917
1-ethoxy-6,6-dimethylheptane
CID 58021102
1-ethoxy-10,10-dimethylundecane
CID 150524219
5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804379
N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine
CID 65177873
5-ethoxy-2-ethyl-2-methylpentan-1-ol
CID 66059379
5-ethoxy-2-methyl-2-propylpentan-1-ol
CID 66026142
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine
CID 163989372
6-bromo-1-ethoxy-4,4-dimethylheptane
CID 65177799
7-ethoxy-4,4-dimethylheptan-2-amine
CID 65177905
N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine
CID 155219490

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N,2-dimethylpentan-2-amine?
The IUPAC name of 5-ethoxy-N,2-dimethylpentan-2-amine (CID 135220051) is 5-ethoxy-N,2-dimethylpentan-2-amine.
What is the SMILES notation for 5-ethoxy-N,2-dimethylpentan-2-amine?
The canonical SMILES for 5-ethoxy-N,2-dimethylpentan-2-amine is CCOCCCC(C)(C)NC.
What is the InChIKey of 5-ethoxy-N,2-dimethylpentan-2-amine?
The InChIKey is FSSUROULUZKUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-11-8-6-7-9(2,3)10-4/h10H,5-8H2,1-4H3.
What are the key properties of 5-ethoxy-N,2-dimethylpentan-2-amine?
5-ethoxy-N,2-dimethylpentan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N,2-dimethylpentan-2-amine is sourced from PubChem (CID 135220051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).