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

C13H27NO — CID 103074507

IUPACN-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COC(C)CCCCCC
InChIInChI=1S/C13H27NO/c1-5-6-7-8-9-13(3)15-11-12(2)10-14-4/h13-14H,2,5-11H2,1,3-4H3
InChIKeyCHRKMSZVCAGHCO-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds10

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

N-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine (PubChem CID 103074507) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
PubChem CID103074507
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COC(C)CCCCCC
InChIInChI=1S/C13H27NO/c1-5-6-7-8-9-13(3)15-11-12(2)10-14-4/h13-14H,2,5-11H2,1,3-4H3
InChIKeyCHRKMSZVCAGHCO-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
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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Related Compounds

N-methyl-9-(2-methylprop-2-enoxy)nonan-1-amine
CID 169647721
2-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326
2-(cyclohexyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074328
2-(cyclopentyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074335
N-ethyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074402
2-[(2-ethylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074405
2-[(2-ethylcyclohexyl)oxymethyl]-N-methylprop-2-en-1-amine
CID 103074407
N-methyl-2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074414
N-methyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074453
N-ethyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074502
2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074503

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine (CID 103074507) is N-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine is C=C(CNC)COC(C)CCCCCC.
What is the InChIKey of N-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine?
The InChIKey is CHRKMSZVCAGHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-6-7-8-9-13(3)15-11-12(2)10-14-4/h13-14H,2,5-11H2,1,3-4H3.
What are the key properties of N-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine?
N-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).