N-ethyl-2-hexoxycycloheptan-1-amine

C15H31NO — CID 55135932

IUPACN-ethyl-2-hexoxycycloheptan-1-amine
SMILESCCCCCCOC1CCCCCC1NCC
InChIInChI=1S/C15H31NO/c1-3-5-6-10-13-17-15-12-9-7-8-11-14(15)16-4-2/h14-16H,3-13H2,1-2H3
InChIKeyATLOUGGTJFDLNV-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.89
Rot. Bonds8

About N-ethyl-2-hexoxycycloheptan-1-amine

N-ethyl-2-hexoxycycloheptan-1-amine (PubChem CID 55135932) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-ethyl-2-hexoxycycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-hexoxycycloheptan-1-amine
PubChem CID55135932
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-ethyl-2-hexoxycycloheptan-1-amine
SMILESCCCCCCOC1CCCCCC1NCC
InChIInChI=1S/C15H31NO/c1-3-5-6-10-13-17-15-12-9-7-8-11-14(15)16-4-2/h14-16H,3-13H2,1-2H3
InChIKeyATLOUGGTJFDLNV-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.89
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-hexoxycycloheptan-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-ethyl-2-octoxycycloheptan-1-amine
CID 63473760
2-octoxy-N-propylcyclooctan-1-amine
CID 63476166
2-octoxy-N-propylcycloheptan-1-amine
CID 63473942
2-(2-cyclopropylethoxy)-N-ethylcyclododecan-1-amine
CID 106200788
2-(2-cyclopropylethoxy)-N-ethylcyclooctan-1-amine
CID 106200627
2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine
CID 106200977
N-ethyl-2-octoxy-4-propylcyclohexan-1-amine
CID 63474035
2-propoxy-N-propylcyclododecan-1-amine
CID 63500356
2-hexoxycyclododecan-1-amine
CID 43127854
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine
CID 104560797
N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine
CID 79835866
2-octoxycyclohexan-1-amine
CID 43127889

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hexoxycycloheptan-1-amine?
The IUPAC name of N-ethyl-2-hexoxycycloheptan-1-amine (CID 55135932) is N-ethyl-2-hexoxycycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-hexoxycycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-hexoxycycloheptan-1-amine is CCCCCCOC1CCCCCC1NCC.
What is the InChIKey of N-ethyl-2-hexoxycycloheptan-1-amine?
The InChIKey is ATLOUGGTJFDLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-5-6-10-13-17-15-12-9-7-8-11-14(15)16-4-2/h14-16H,3-13H2,1-2H3.
What are the key properties of N-ethyl-2-hexoxycycloheptan-1-amine?
N-ethyl-2-hexoxycycloheptan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hexoxycycloheptan-1-amine is sourced from PubChem (CID 55135932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).