1-ethoxy-3,3-dimethylpentan-2-amine

C9H21NO — CID 105008105

IUPAC1-ethoxy-3,3-dimethylpentan-2-amine
SMILESCCOCC(N)C(C)(C)CC
InChIInChI=1S/C9H21NO/c1-5-9(3,4)8(10)7-11-6-2/h8H,5-7,10H2,1-4H3
InChIKeyXZTCVPMCGWWUMO-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds5

About 1-ethoxy-3,3-dimethylpentan-2-amine

1-ethoxy-3,3-dimethylpentan-2-amine (PubChem CID 105008105) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-ethoxy-3,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3,3-dimethylpentan-2-amine
PubChem CID105008105
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-ethoxy-3,3-dimethylpentan-2-amine
SMILESCCOCC(N)C(C)(C)CC
InChIInChI=1S/C9H21NO/c1-5-9(3,4)8(10)7-11-6-2/h8H,5-7,10H2,1-4H3
InChIKeyXZTCVPMCGWWUMO-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethoxy-3,3-dimethylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-ethoxy-3,3-difluorobutan-2-amine
CID 170383951
1,3-diethoxy-3-methylbutan-2-amine
CID 116726159
3-ethoxy-1,1,1-trifluoropropan-2-amine
CID 64981755
1-ethoxy-N,3,3-trimethylpentan-2-amine
CID 105007892
2,5,5-trimethylheptan-4-amine
CID 115782662
1-N,1-N,3,3-tetramethylpentane-1,2-diamine
CID 130586228
3-amino-4,4-dimethylhexanoic acid
CID 131229522
3,3-dimethyloct-6-yn-4-amine
CID 115819865
1-ethoxypentan-2-amine
CID 62042543
3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 115844296
1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane
CID 89011685
3-tert-butyl-1-ethoxyhexane-2,4-diol
CID 123719699

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,3-dimethylpentan-2-amine?
The IUPAC name of 1-ethoxy-3,3-dimethylpentan-2-amine (CID 105008105) is 1-ethoxy-3,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-ethoxy-3,3-dimethylpentan-2-amine?
The canonical SMILES for 1-ethoxy-3,3-dimethylpentan-2-amine is CCOCC(N)C(C)(C)CC.
What is the InChIKey of 1-ethoxy-3,3-dimethylpentan-2-amine?
The InChIKey is XZTCVPMCGWWUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-9(3,4)8(10)7-11-6-2/h8H,5-7,10H2,1-4H3.
What are the key properties of 1-ethoxy-3,3-dimethylpentan-2-amine?
1-ethoxy-3,3-dimethylpentan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,3-dimethylpentan-2-amine is sourced from PubChem (CID 105008105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).