(E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine

C12H21NO2 — CID 10750987

IUPAC(E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine
SMILESC=CCN(CC=C)C/C=C/C(OC)OC
InChIInChI=1S/C12H21NO2/c1-5-9-13(10-6-2)11-7-8-12(14-3)15-4/h5-8,12H,1-2,9-11H2,3-4H3/b8-7+
InChIKeyPDBGWDVMGCICEZ-BQYQJAHWSA-N
MW211.30 g/mol
LogP1.84
Rot. Bonds9

About (E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine

(E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine (PubChem CID 10750987) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine
PubChem CID10750987
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine
SMILESC=CCN(CC=C)C/C=C/C(OC)OC
InChIInChI=1S/C12H21NO2/c1-5-9-13(10-6-2)11-7-8-12(14-3)15-4/h5-8,12H,1-2,9-11H2,3-4H3/b8-7+
InChIKeyPDBGWDVMGCICEZ-BQYQJAHWSA-N
XLogP1.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine?
The IUPAC name of (E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine (CID 10750987) is (E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine.
What is the SMILES notation for (E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine?
The canonical SMILES for (E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine is C=CCN(CC=C)C/C=C/C(OC)OC.
What is the InChIKey of (E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine?
The InChIKey is PDBGWDVMGCICEZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-9-13(10-6-2)11-7-8-12(14-3)15-4/h5-8,12H,1-2,9-11H2,3-4H3/b8-7+.
What are the key properties of (E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine?
(E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine has a molecular weight of 211.30 g/mol, XLogP of 1.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine is sourced from PubChem (CID 10750987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).