2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine

C15H31NO — CID 103074505

IUPAC2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COC(C)CCCCCC
InChIInChI=1S/C15H31NO/c1-5-7-8-9-10-15(4)17-13-14(3)12-16-11-6-2/h15-16H,3,5-13H2,1-2,4H3
InChIKeyDSPNPHUJIQRSNV-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.92
Rot. Bonds12

About 2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine

2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine (PubChem CID 103074505) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine
PubChem CID103074505
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COC(C)CCCCCC
InChIInChI=1S/C15H31NO/c1-5-7-8-9-10-15(4)17-13-14(3)12-16-11-6-2/h15-16H,3,5-13H2,1-2,4H3
InChIKeyDSPNPHUJIQRSNV-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
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

N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine
CID 58451782
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-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-(cyclohexyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074328
2-(cyclopentyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074329
2-(cyclopentyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074333
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074395
2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074399
N-ethyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074402

Frequently Asked Questions

What is the IUPAC name of 2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine (CID 103074505) is 2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)COC(C)CCCCCC.
What is the InChIKey of 2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine?
The InChIKey is DSPNPHUJIQRSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-7-8-9-10-15(4)17-13-14(3)12-16-11-6-2/h15-16H,3,5-13H2,1-2,4H3.
What are the key properties of 2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine?
2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.92, 12 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-propylprop-2-en-1-amine is sourced from PubChem (CID 103074505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).