2-(octan-2-yloxymethyl)prop-2-en-1-amine

C12H25NO — CID 103074506

IUPAC2-(octan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COC(C)CCCCCC
InChIInChI=1S/C12H25NO/c1-4-5-6-7-8-12(3)14-10-11(2)9-13/h12H,2,4-10,13H2,1,3H3
InChIKeyGFBUAFNPVAFKJN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.88
Rot. Bonds9

About 2-(octan-2-yloxymethyl)prop-2-en-1-amine

2-(octan-2-yloxymethyl)prop-2-en-1-amine (PubChem CID 103074506) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(octan-2-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(octan-2-yloxymethyl)prop-2-en-1-amine
PubChem CID103074506
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(octan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COC(C)CCCCCC
InChIInChI=1S/C12H25NO/c1-4-5-6-7-8-12(3)14-10-11(2)9-13/h12H,2,4-10,13H2,1,3H3
InChIKeyGFBUAFNPVAFKJN-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.88
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

2-(pentan-2-yloxymethyl)prop-2-en-1-amine
CID 103075204
2-octan-2-yloxyethanamine
CID 43127313
octan-2-yloxymethanol
CID 57306212
2-ethoxytridecane
CID 54143367
1-octan-2-yloxypentan-2-one
CID 62042507
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-octan-2-yloxypropan-2-amine
CID 43127432
O-hexadecan-2-ylhydroxylamine
CID 18799052
2-(methoxymethoxy)nonane
CID 13203850

Frequently Asked Questions

What is the IUPAC name of 2-(octan-2-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(octan-2-yloxymethyl)prop-2-en-1-amine (CID 103074506) is 2-(octan-2-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(octan-2-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(octan-2-yloxymethyl)prop-2-en-1-amine is C=C(CN)COC(C)CCCCCC.
What is the InChIKey of 2-(octan-2-yloxymethyl)prop-2-en-1-amine?
The InChIKey is GFBUAFNPVAFKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-6-7-8-12(3)14-10-11(2)9-13/h12H,2,4-10,13H2,1,3H3.
What are the key properties of 2-(octan-2-yloxymethyl)prop-2-en-1-amine?
2-(octan-2-yloxymethyl)prop-2-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octan-2-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).