N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine

C13H27NO2 — CID 103228848

IUPACN-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine
SMILESC=CCCCOC(CNC(C)(C)C)COC
InChIInChI=1S/C13H27NO2/c1-6-7-8-9-16-12(11-15-5)10-14-13(2,3)4/h6,12,14H,1,7-11H2,2-5H3
InChIKeyOSMUZHUGWYJDTG-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.37
Rot. Bonds9

About N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine

N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine (PubChem CID 103228848) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine
PubChem CID103228848
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine
SMILESC=CCCCOC(CNC(C)(C)C)COC
InChIInChI=1S/C13H27NO2/c1-6-7-8-9-16-12(11-15-5)10-14-13(2,3)4/h6,12,14H,1,7-11H2,2-5H3
InChIKeyOSMUZHUGWYJDTG-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine?
The IUPAC name of N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine (CID 103228848) is N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine is C=CCCCOC(CNC(C)(C)C)COC.
What is the InChIKey of N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine?
The InChIKey is OSMUZHUGWYJDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-7-8-9-16-12(11-15-5)10-14-13(2,3)4/h6,12,14H,1,7-11H2,2-5H3.
What are the key properties of N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine?
N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-2-amine is sourced from PubChem (CID 103228848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).