3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine

C8H17NO — CID 62139749

IUPAC3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)COC
InChIInChI=1S/C8H17NO/c1-4-5-9-6-8(2)7-10-3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyKLSVANGHNPFXCD-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.04
Rot. Bonds6

About 3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine

3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine (PubChem CID 62139749) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine
PubChem CID62139749
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)COC
InChIInChI=1S/C8H17NO/c1-4-5-9-6-8(2)7-10-3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyKLSVANGHNPFXCD-UHFFFAOYSA-N
XLogP1.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.04
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine (CID 62139749) is 3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine is C=CCNCC(C)COC.
What is the InChIKey of 3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine?
The InChIKey is KLSVANGHNPFXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-9-6-8(2)7-10-3/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of 3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine?
3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 62139749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).