(E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine

C8H15NO — CID 6434750

IUPAC(E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine
SMILESC=CCO/C=C/CN(C)C
InChIInChI=1S/C8H15NO/c1-4-7-10-8-5-6-9(2)3/h4-5,8H,1,6-7H2,2-3H3/b8-5+
InChIKeyQOWSDMWQBSMPEE-VMPITWQZSA-N
MW141.21 g/mol
LogP1.26
Rot. Bonds5

About (E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine

(E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine (PubChem CID 6434750) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine
PubChem CID6434750
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine
SMILESC=CCO/C=C/CN(C)C
InChIInChI=1S/C8H15NO/c1-4-7-10-8-5-6-9(2)3/h4-5,8H,1,6-7H2,2-3H3/b8-5+
InChIKeyQOWSDMWQBSMPEE-VMPITWQZSA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine (CID 6434750) is (E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine is C=CCO/C=C/CN(C)C.
What is the InChIKey of (E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine?
The InChIKey is QOWSDMWQBSMPEE-VMPITWQZSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7-10-8-5-6-9(2)3/h4-5,8H,1,6-7H2,2-3H3/b8-5+.
What are the key properties of (E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine?
(E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine has a molecular weight of 141.21 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-prop-2-enoxyprop-2-en-1-amine is sourced from PubChem (CID 6434750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).