3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine

C14H27NO — CID 104582611

IUPAC3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine
SMILESC=CCCC(C)NC1CC(OCC)C1(C)C
InChIInChI=1S/C14H27NO/c1-6-8-9-11(3)15-12-10-13(16-7-2)14(12,4)5/h6,11-13,15H,1,7-10H2,2-5H3
InChIKeyTUFVRCSSMLTFGE-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.13
Rot. Bonds7

About 3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine

3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine (PubChem CID 104582611) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine
PubChem CID104582611
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine
SMILESC=CCCC(C)NC1CC(OCC)C1(C)C
InChIInChI=1S/C14H27NO/c1-6-8-9-11(3)15-12-10-13(16-7-2)14(12,4)5/h6,11-13,15H,1,7-10H2,2-5H3
InChIKeyTUFVRCSSMLTFGE-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-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

N-(2-ethyl-2-methylbut-3-enyl)oxan-4-amine
CID 144399280
3-hex-5-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 146434889
4-ethoxy-N,5-dimethylhept-6-en-2-amine
CID 155032094
ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine
CID 176554641
N-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850186
2,2-dimethyl-3-(2-methylpropoxy)-N-prop-2-enylcyclobutan-1-amine
CID 64850375
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64850524
3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine
CID 64851306
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64851356
N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852160
N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64852288
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169708

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine (CID 104582611) is 3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine is C=CCCC(C)NC1CC(OCC)C1(C)C.
What is the InChIKey of 3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine?
The InChIKey is TUFVRCSSMLTFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-8-9-11(3)15-12-10-13(16-7-2)14(12,4)5/h6,11-13,15H,1,7-10H2,2-5H3.
What are the key properties of 3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 104582611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).