1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one

C26H45N3O — CID 174196412

IUPAC1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one
SMILESC=C(CCCCCCC(=C)NCCCCCNC(=C)C(C)C)CN1C(=C)CCC1=O
InChIInChI=1S/C26H45N3O/c1-21(2)25(6)28-19-13-9-12-18-27-23(4)15-11-8-7-10-14-22(3)20-29-24(5)16-17-26(29)30/h21,27-28H,3-20H2,1-2H3
InChIKeyIWJOEFLGLCNVAT-UHFFFAOYSA-N
MW415.67 g/mol
LogP6.05
Rot. Bonds18

About 1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one

1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one (PubChem CID 174196412) has the molecular formula C26H45N3O and a molecular weight of 415.67 g/mol. Its IUPAC name is 1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one
PubChem CID174196412
Molecular FormulaC26H45N3O
Molecular Weight415.67 g/mol
Exact Mass415.36
IUPAC Name1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one
SMILESC=C(CCCCCCC(=C)NCCCCCNC(=C)C(C)C)CN1C(=C)CCC1=O
InChIInChI=1S/C26H45N3O/c1-21(2)25(6)28-19-13-9-12-18-27-23(4)15-11-8-7-10-14-22(3)20-29-24(5)16-17-26(29)30/h21,27-28H,3-20H2,1-2H3
InChIKeyIWJOEFLGLCNVAT-UHFFFAOYSA-N
XLogP6.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.67
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one with MolForge

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Related Compounds

1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one
CID 146619279
N-(3-methylbut-1-en-2-yl)hexan-1-amine
CID 129308708
ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine
CID 168888487
N-hexyloct-1-en-2-amine
CID 169110016
14-methyl-N-(4-methylpentyl)pentadec-1-en-2-amine
CID 170250998
1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione
CID 129291336
N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
1-(2,5-dimethylidenepyrrolidin-1-yl)-3-methylbutan-2-one
CID 175632000
6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
CID 43352928
(3S)-7-(dec-1-en-2-ylamino)-3-methylheptan-2-one
CID 163498407
8-methyl-N-(5-methylhex-1-en-2-yl)nonan-1-amine
CID 167085291
N-(4-methylidenehexyl)hept-1-en-2-amine
CID 167138556

Frequently Asked Questions

What is the IUPAC name of 1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one?
The IUPAC name of 1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one (CID 174196412) is 1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one is C=C(CCCCCCC(=C)NCCCCCNC(=C)C(C)C)CN1C(=C)CCC1=O.
What is the InChIKey of 1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one?
The InChIKey is IWJOEFLGLCNVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N3O/c1-21(2)25(6)28-19-13-9-12-18-27-23(4)15-11-8-7-10-14-22(3)20-29-24(5)16-17-26(29)30/h21,27-28H,3-20H2,1-2H3.
What are the key properties of 1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one?
1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one has a molecular weight of 415.67 g/mol, XLogP of 6.05, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[5-(3-methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 174196412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).