2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine

C15H31NO — CID 103074503

IUPAC2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC(C)CCCCCC
InChIInChI=1S/C15H31NO/c1-6-7-8-9-10-15(5)17-12-14(4)11-16-13(2)3/h13,15-16H,4,6-12H2,1-3,5H3
InChIKeyDAFYLBPYUMMSKI-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.92
Rot. Bonds11

About 2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074503) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074503
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC(C)CCCCCC
InChIInChI=1S/C15H31NO/c1-6-7-8-9-10-15(5)17-12-14(4)11-16-13(2)3/h13,15-16H,4,6-12H2,1-3,5H3
InChIKeyDAFYLBPYUMMSKI-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.92
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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Related Compounds

(2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine
CID 134408104
2-[2-(2-Methylprop-2-enoxy)ethyl]piperidine
CID 56830001
2-[2-(2-Methylprop-2-enoxy)ethyl]azepane
CID 84051757
(2S)-2-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320866
(2R)-2-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320868
2-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074323
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
CID 103074325
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326
2-(cyclopentyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074331
2-[(4-methylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103074397

Frequently Asked Questions

What is the IUPAC name of 2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074503) is 2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COC(C)CCCCCC.
What is the InChIKey of 2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is DAFYLBPYUMMSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-7-8-9-10-15(5)17-12-14(4)11-16-13(2)3/h13,15-16H,4,6-12H2,1-3,5H3.
What are the key properties of 2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.92, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).