3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene

C25H50N4O — CID 143049028

IUPAC3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene
SMILESCC.CC/C=C\C=C(/CC)CCC.CCN1CCC(N(C)C(=O)N2CCC(N)C2)C1
InChIInChI=1S/C12H24N4O.C11H20.C2H6/c1-3-15-6-5-11(9-15)14(2)12(17)16-7-4-10(13)8-16;1-4-7-8-10-11(6-3)9-5-2;1-2/h10-11H,3-9,13H2,1-2H3;7-8,10H,4-6,9H2,1-3H3;1-2H3/b;8-7-,11-10+;
InChIKeyMHGHAPHDWQCCSJ-XIGOGHJNSA-N
MW422.70 g/mol
LogP5.28
Rot. Bonds7

About 3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene

3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene (PubChem CID 143049028) has the molecular formula C25H50N4O and a molecular weight of 422.70 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene.

Molecular Properties

Compound Name3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene
PubChem CID143049028
Molecular FormulaC25H50N4O
Molecular Weight422.70 g/mol
Exact Mass422.40
IUPAC Name3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene
SMILESCC.CC/C=C\C=C(/CC)CCC.CCN1CCC(N(C)C(=O)N2CCC(N)C2)C1
InChIInChI=1S/C12H24N4O.C11H20.C2H6/c1-3-15-6-5-11(9-15)14(2)12(17)16-7-4-10(13)8-16;1-4-7-8-10-11(6-3)9-5-2;1-2/h10-11H,3-9,13H2,1-2H3;7-8,10H,4-6,9H2,1-3H3;1-2H3/b;8-7-,11-10+;
InChIKeyMHGHAPHDWQCCSJ-XIGOGHJNSA-N
XLogP5.28
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.70
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene?
The IUPAC name of 3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene (CID 143049028) is 3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene.
What is the SMILES notation for 3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene?
The canonical SMILES for 3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene is CC.CC/C=C\C=C(/CC)CCC.CCN1CCC(N(C)C(=O)N2CCC(N)C2)C1.
What is the InChIKey of 3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene?
The InChIKey is MHGHAPHDWQCCSJ-XIGOGHJNSA-N. The full InChI is InChI=1S/C12H24N4O.C11H20.C2H6/c1-3-15-6-5-11(9-15)14(2)12(17)16-7-4-10(13)8-16;1-4-7-8-10-11(6-3)9-5-2;1-2/h10-11H,3-9,13H2,1-2H3;7-8,10H,4-6,9H2,1-3H3;1-2H3/b;8-7-,11-10+;.
What are the key properties of 3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene?
3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene has a molecular weight of 422.70 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene is sourced from PubChem (CID 143049028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).