N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine

C14H27NO — CID 103854442

IUPACN-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine
SMILESC=CCCOCCNC1CCCC(CC)C1
InChIInChI=1S/C14H27NO/c1-3-5-10-16-11-9-15-14-8-6-7-13(4-2)12-14/h3,13-15H,1,4-12H2,2H3
InChIKeyAQXIDYAHEFNUTG-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine

N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine (PubChem CID 103854442) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine
PubChem CID103854442
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine
SMILESC=CCCOCCNC1CCCC(CC)C1
InChIInChI=1S/C14H27NO/c1-3-5-10-16-11-9-15-14-8-6-7-13(4-2)12-14/h3,13-15H,1,4-12H2,2H3
InChIKeyAQXIDYAHEFNUTG-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine (CID 103854442) is N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine is C=CCCOCCNC1CCCC(CC)C1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine?
The InChIKey is AQXIDYAHEFNUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-10-16-11-9-15-14-8-6-7-13(4-2)12-14/h3,13-15H,1,4-12H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine?
N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 103854442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).