(E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine

C12H25NO — CID 6005687

IUPAC(E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine
SMILESCOCC/C=C/CN(C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-11(2)13(12(3)4)9-7-6-8-10-14-5/h6-7,11-12H,8-10H2,1-5H3/b7-6+
InChIKeyUQJGQYQOMXDBTN-VOTSOKGWSA-N
MW199.34 g/mol
LogP2.70
Rot. Bonds7

About (E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine

(E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine (PubChem CID 6005687) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine
PubChem CID6005687
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine
SMILESCOCC/C=C/CN(C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-11(2)13(12(3)4)9-7-6-8-10-14-5/h6-7,11-12H,8-10H2,1-5H3/b7-6+
InChIKeyUQJGQYQOMXDBTN-VOTSOKGWSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.70
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 (E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine?
The IUPAC name of (E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine (CID 6005687) is (E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine.
What is the SMILES notation for (E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine?
The canonical SMILES for (E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine is COCC/C=C/CN(C(C)C)C(C)C.
What is the InChIKey of (E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine?
The InChIKey is UQJGQYQOMXDBTN-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)13(12(3)4)9-7-6-8-10-14-5/h6-7,11-12H,8-10H2,1-5H3/b7-6+.
What are the key properties of (E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine?
(E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine is sourced from PubChem (CID 6005687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).