azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine

C18H30N4O4 — CID 70219860

IUPACazane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine
SMILESCCCN.N.O=C1C=CC(=O)N1CCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H18N2O4.C3H9N.H3N/c18-12-6-7-13(19)16(12)10-4-2-1-3-5-11-17-14(20)8-9-15(17)21;1-2-3-4;/h6-9H,1-5,10-11H2;2-4H2,1H3;1H3
InChIKeyNNKKGHUKWJSZST-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.30
Rot. Bonds9

About azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine

azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine (PubChem CID 70219860) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine.

Molecular Properties

Compound Nameazane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine
PubChem CID70219860
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Nameazane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine
SMILESCCCN.N.O=C1C=CC(=O)N1CCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H18N2O4.C3H9N.H3N/c18-12-6-7-13(19)16(12)10-4-2-1-3-5-11-17-14(20)8-9-15(17)21;1-2-3-4;/h6-9H,1-5,10-11H2;2-4H2,1H3;1H3
InChIKeyNNKKGHUKWJSZST-UHFFFAOYSA-N
XLogP1.30
TPSA135.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine with MolForge

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Related Compounds

1-hexadecylpyrrole-2,5-dione
CID 4526314
1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride
CID 172909654
1-butylpyrrole-2,5-dione;silane
CID 160820729
1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
CID 129182834
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
CID 58173868
1-(12-amino-11-oxododecyl)pyrrole-2,5-dione
CID 58173871
1-(13-sulfanyltridecyl)pyrrole-2,5-dione
CID 173127544
1-(14-sulfanyltetradecyl)pyrrole-2,5-dione
CID 173127689
1-(5-iodopentyl)pyrrole-2,5-dione
CID 89213790
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
10-(2,5-dioxopyrrol-1-yl)decyl acetate
CID 175460428

Frequently Asked Questions

What is the IUPAC name of azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine?
The IUPAC name of azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine (CID 70219860) is azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine.
What is the SMILES notation for azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine?
The canonical SMILES for azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine is CCCN.N.O=C1C=CC(=O)N1CCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine?
The InChIKey is NNKKGHUKWJSZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4.C3H9N.H3N/c18-12-6-7-13(19)16(12)10-4-2-1-3-5-11-17-14(20)8-9-15(17)21;1-2-3-4;/h6-9H,1-5,10-11H2;2-4H2,1H3;1H3.
What are the key properties of azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine?
azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine has a molecular weight of 366.46 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine is sourced from PubChem (CID 70219860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).