2-ethoxy-2-methylundecan-3-amine

C14H31NO — CID 116726130

IUPAC2-ethoxy-2-methylundecan-3-amine
SMILESCCCCCCCCC(N)C(C)(C)OCC
InChIInChI=1S/C14H31NO/c1-5-7-8-9-10-11-12-13(15)14(3,4)16-6-2/h13H,5-12,15H2,1-4H3
InChIKeyGUGFMLNMQKOZDJ-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.88
Rot. Bonds10

About 2-ethoxy-2-methylundecan-3-amine

2-ethoxy-2-methylundecan-3-amine (PubChem CID 116726130) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-ethoxy-2-methylundecan-3-amine.

Molecular Properties

Compound Name2-ethoxy-2-methylundecan-3-amine
PubChem CID116726130
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-ethoxy-2-methylundecan-3-amine
SMILESCCCCCCCCC(N)C(C)(C)OCC
InChIInChI=1S/C14H31NO/c1-5-7-8-9-10-11-12-13(15)14(3,4)16-6-2/h13H,5-12,15H2,1-4H3
InChIKeyGUGFMLNMQKOZDJ-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethoxy-2-methylundecan-3-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

(3S)-2-ethoxy-2-methylhexan-3-amine
CID 104932360
(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
2,2-dimethyldodecan-3-amine
CID 43370499
(2-ethoxy-2-methyldodecan-3-yl)hydrazine
CID 105274061
2-methyldecane-2,3-diamine
CID 87934186
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
2-N,2-N,2-trimethylnonane-2,3-diamine
CID 79053375
1,1,1-trimethoxydecan-2-amine
CID 150913764
3-methoxy-3-methyltetradecan-4-amine
CID 116757437
4,4-dimethylicosan-5-amine;hydrobromide
CID 173152006
1,3-diethoxy-3-methylbutan-2-amine
CID 116726159
2-aminotetradecane-1,1,1-triol;hydrochloride
CID 173374049

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methylundecan-3-amine?
The IUPAC name of 2-ethoxy-2-methylundecan-3-amine (CID 116726130) is 2-ethoxy-2-methylundecan-3-amine.
What is the SMILES notation for 2-ethoxy-2-methylundecan-3-amine?
The canonical SMILES for 2-ethoxy-2-methylundecan-3-amine is CCCCCCCCC(N)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-2-methylundecan-3-amine?
The InChIKey is GUGFMLNMQKOZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-7-8-9-10-11-12-13(15)14(3,4)16-6-2/h13H,5-12,15H2,1-4H3.
What are the key properties of 2-ethoxy-2-methylundecan-3-amine?
2-ethoxy-2-methylundecan-3-amine has a molecular weight of 229.41 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methylundecan-3-amine is sourced from PubChem (CID 116726130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).