N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine

C17H33NO — CID 103273209

IUPACN-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine
SMILESCCNCCC1(OC2CC(C)CC(C)(C)C2)CCC1
InChIInChI=1S/C17H33NO/c1-5-18-10-9-17(7-6-8-17)19-15-11-14(2)12-16(3,4)13-15/h14-15,18H,5-13H2,1-4H3
InChIKeyHGUMYGVUMKADEP-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds6

About N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine

N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine (PubChem CID 103273209) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine
PubChem CID103273209
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine
SMILESCCNCCC1(OC2CC(C)CC(C)(C)C2)CCC1
InChIInChI=1S/C17H33NO/c1-5-18-10-9-17(7-6-8-17)19-15-11-14(2)12-16(3,4)13-15/h14-15,18H,5-13H2,1-4H3
InChIKeyHGUMYGVUMKADEP-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine 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

2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine
CID 103273206
N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine
CID 55036865
N-ethyl-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62456955
N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357222
2-methyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-2-amine
CID 62598683
2-methoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine
CID 62599023
2-(1-butoxycyclobutyl)-N-ethylethanamine
CID 103273334
N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine
CID 62598860
N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine
CID 107558162
2-[1-(2-ethoxyethoxy)cyclobutyl]-N-ethylethanamine
CID 103273067
4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine
CID 62597985
2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine
CID 62455277

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine?
The IUPAC name of N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine (CID 103273209) is N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine is CCNCCC1(OC2CC(C)CC(C)(C)C2)CCC1.
What is the InChIKey of N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine?
The InChIKey is HGUMYGVUMKADEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-18-10-9-17(7-6-8-17)19-15-11-14(2)12-16(3,4)13-15/h14-15,18H,5-13H2,1-4H3.
What are the key properties of N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine?
N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine is sourced from PubChem (CID 103273209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).