1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine

C9H17NO2 — CID 91602983

IUPAC1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine
SMILESC=CC(=C)COCC(N)COC
InChIInChI=1S/C9H17NO2/c1-4-8(2)5-12-7-9(10)6-11-3/h4,9H,1-2,5-7,10H2,3H3
InChIKeyNNDAILJDELTNMW-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.72
Rot. Bonds7

About 1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine

1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine (PubChem CID 91602983) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine
PubChem CID91602983
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine
SMILESC=CC(=C)COCC(N)COC
InChIInChI=1S/C9H17NO2/c1-4-8(2)5-12-7-9(10)6-11-3/h4,9H,1-2,5-7,10H2,3H3
InChIKeyNNDAILJDELTNMW-UHFFFAOYSA-N
XLogP0.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(2E)-2-ethenylpenta-2,4-dienoxy]propan-2-amine
CID 141848142
1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine
CID 143097683
1,3-Bis(prop-2-enoxy)propan-2-amine
CID 153519187

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine?
The IUPAC name of 1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine (CID 91602983) is 1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine.
What is the SMILES notation for 1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine?
The canonical SMILES for 1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine is C=CC(=C)COCC(N)COC.
What is the InChIKey of 1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine?
The InChIKey is NNDAILJDELTNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-8(2)5-12-7-9(10)6-11-3/h4,9H,1-2,5-7,10H2,3H3.
What are the key properties of 1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine?
1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine has a molecular weight of 171.24 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine is sourced from PubChem (CID 91602983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).