3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene

C13H27NO — CID 142148052

IUPAC3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene
SMILESC/C=C\CC.C=CCN(C)CCCOC
InChIInChI=1S/C8H17NO.C5H10/c1-4-6-9(2)7-5-8-10-3;1-3-5-4-2/h4H,1,5-8H2,2-3H3;3,5H,4H2,1-2H3/b;5-3-
InChIKeySQVPFKXQTIJKLZ-PJAIOPLOSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds7

About 3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene

3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene (PubChem CID 142148052) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene
PubChem CID142148052
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene
SMILESC/C=C\CC.C=CCN(C)CCCOC
InChIInChI=1S/C8H17NO.C5H10/c1-4-6-9(2)7-5-8-10-3;1-3-5-4-2/h4H,1,5-8H2,2-3H3;3,5H,4H2,1-2H3/b;5-3-
InChIKeySQVPFKXQTIJKLZ-PJAIOPLOSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene?
The IUPAC name of 3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene (CID 142148052) is 3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene.
What is the SMILES notation for 3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene?
The canonical SMILES for 3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene is C/C=C\CC.C=CCN(C)CCCOC.
What is the InChIKey of 3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene?
The InChIKey is SQVPFKXQTIJKLZ-PJAIOPLOSA-N. The full InChI is InChI=1S/C8H17NO.C5H10/c1-4-6-9(2)7-5-8-10-3;1-3-5-4-2/h4H,1,5-8H2,2-3H3;3,5H,4H2,1-2H3/b;5-3-.
What are the key properties of 3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene?
3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene has a molecular weight of 213.36 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene is sourced from PubChem (CID 142148052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).