N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-1-amine

C13H27NO2 — CID 103228847

IUPACN-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-1-amine
SMILESC=CCCCOC(CNCC(C)C)COC
InChIInChI=1S/C13H27NO2/c1-5-6-7-8-16-13(11-15-4)10-14-9-12(2)3/h5,12-14H,1,6-11H2,2-4H3
InChIKeyVOLUKXCTOPEERH-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.23
Rot. Bonds11

About N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-1-amine

N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-1-amine (PubChem CID 103228847) 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-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-1-amine
PubChem CID103228847
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-1-amine
SMILESC=CCCCOC(CNCC(C)C)COC
InChIInChI=1S/C13H27NO2/c1-5-6-7-8-16-13(11-15-4)10-14-9-12(2)3/h5,12-14H,1,6-11H2,2-4H3
InChIKeyVOLUKXCTOPEERH-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.23
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-1-amine?
The IUPAC name of N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-1-amine (CID 103228847) is N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-1-amine is C=CCCCOC(CNCC(C)C)COC.
What is the InChIKey of N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-1-amine?
The InChIKey is VOLUKXCTOPEERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-6-7-8-16-13(11-15-4)10-14-9-12(2)3/h5,12-14H,1,6-11H2,2-4H3.
What are the key properties of N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-1-amine?
N-(3-methoxy-2-pent-4-enoxypropyl)-2-methylpropan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.23, 11 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-1-amine is sourced from PubChem (CID 103228847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).