N-(2-but-3-enoxyethyl)-2-cyclohexylethanamine

C14H27NO — CID 103529154

IUPACN-(2-but-3-enoxyethyl)-2-cyclohexylethanamine
SMILESC=CCCOCCNCCC1CCCCC1
InChIInChI=1S/C14H27NO/c1-2-3-12-16-13-11-15-10-9-14-7-5-4-6-8-14/h2,14-15H,1,3-13H2
InChIKeyIMVHTSQPAJCKRG-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-2-cyclohexylethanamine

N-(2-but-3-enoxyethyl)-2-cyclohexylethanamine (PubChem CID 103529154) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-cyclohexylethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-cyclohexylethanamine
PubChem CID103529154
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(2-but-3-enoxyethyl)-2-cyclohexylethanamine
SMILESC=CCCOCCNCCC1CCCCC1
InChIInChI=1S/C14H27NO/c1-2-3-12-16-13-11-15-10-9-14-7-5-4-6-8-14/h2,14-15H,1,3-13H2
InChIKeyIMVHTSQPAJCKRG-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-cyclohexylethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-cyclohexylethanamine (CID 103529154) is N-(2-but-3-enoxyethyl)-2-cyclohexylethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-cyclohexylethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-cyclohexylethanamine is C=CCCOCCNCCC1CCCCC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-cyclohexylethanamine?
The InChIKey is IMVHTSQPAJCKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-12-16-13-11-15-10-9-14-7-5-4-6-8-14/h2,14-15H,1,3-13H2.
What are the key properties of N-(2-but-3-enoxyethyl)-2-cyclohexylethanamine?
N-(2-but-3-enoxyethyl)-2-cyclohexylethanamine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 9 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)-2-cyclohexylethanamine is sourced from PubChem (CID 103529154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).