N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

C13H23NO — CID 65169189

IUPACN-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESC#CCCNC1CC(OCC)C1(C)CC
InChIInChI=1S/C13H23NO/c1-5-8-9-14-11-10-12(15-7-3)13(11,4)6-2/h1,11-12,14H,6-10H2,2-4H3
InChIKeyGJNIMWKHFUVNAV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds6

About N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 65169189) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID65169189
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESC#CCCNC1CC(OCC)C1(C)CC
InChIInChI=1S/C13H23NO/c1-5-8-9-14-11-10-12(15-7-3)13(11,4)6-2/h1,11-12,14H,6-10H2,2-4H3
InChIKeyGJNIMWKHFUVNAV-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-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

3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
N-[2-(azepan-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65167643
N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65168217
1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol
CID 113497546
1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65169776
3-ethoxy-2-ethyl-2-methyl-N-(3-methylsulfinylpropyl)cyclobutan-1-amine
CID 113487325
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate
CID 83210264
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106180794
4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol
CID 106245384
3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66356652

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (CID 65169189) is N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is C#CCCNC1CC(OCC)C1(C)CC.
What is the InChIKey of N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is GJNIMWKHFUVNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-8-9-14-11-10-12(15-7-3)13(11,4)6-2/h1,11-12,14H,6-10H2,2-4H3.
What are the key properties of N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 65169189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).