N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine

C18H37N5O5 — CID 161410533

IUPACN-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine
SMILESCC(=O)NCCCCCN.CC(=O)ON1C(=O)CCC1=O.NCCCCCN
InChIInChI=1S/C7H16N2O.C6H7NO4.C5H14N2/c1-7(10)9-6-4-2-3-5-8;1-4(8)11-7-5(9)2-3-6(7)10;6-4-2-1-3-5-7/h2-6,8H2,1H3,(H,9,10);2-3H2,1H3;1-7H2
InChIKeyVVKGQSNXDAIHOQ-UHFFFAOYSA-N
MW403.52 g/mol
LogP-0.06
Rot. Bonds10

About N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine

N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine (PubChem CID 161410533) has the molecular formula C18H37N5O5 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine.

Molecular Properties

Compound NameN-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine
PubChem CID161410533
Molecular FormulaC18H37N5O5
Molecular Weight403.52 g/mol
Exact Mass403.28
IUPAC NameN-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine
SMILESCC(=O)NCCCCCN.CC(=O)ON1C(=O)CCC1=O.NCCCCCN
InChIInChI=1S/C7H16N2O.C6H7NO4.C5H14N2/c1-7(10)9-6-4-2-3-5-8;1-4(8)11-7-5(9)2-3-6(7)10;6-4-2-1-3-5-7/h2-6,8H2,1H3,(H,9,10);2-3H2,1H3;1-7H2
InChIKeyVVKGQSNXDAIHOQ-UHFFFAOYSA-N
XLogP-0.06
TPSA170.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane
CID 161076807
2,6-diacetamidohexanoic acid;2,6-diaminohexanoic acid;(2,5-dioxopyrrolidin-1-yl) acetate;methane;hydrate
CID 159583984
5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate
CID 159005446
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
6-acetamido-2-((113C)methyl(15N)amino)hexanamide;carbane;(2,5-dioxopyrrolidin-1-yl) (313C)propanoate
CID 160722960
(2,5-dioxopyrrolidin-1-yl) 3-[[6-acetamido-2-(methylamino)hexanoyl]amino]propanoate
CID 135254373
(2,5-dioxopyrrolidin-1-yl) 3-[[6-acetamido-2-((113C)methyl(15N)amino)(613C)hexanoyl]amino]propanoate
CID 135251395
(2,5-dioxopyrrolidin-1-yl) 3-[[6-(acetylamino)-2-(dimethylamino)(613C)hexanoyl](15N)amino]propanoate
CID 135251379
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate
CID 121346305
N-(18-amino-7-hydroxyoctadecyl)acetamide
CID 175547048
(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2-methylprop-2-enoylamino)pentanoate
CID 90373410

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine?
The IUPAC name of N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine (CID 161410533) is N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine.
What is the SMILES notation for N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine?
The canonical SMILES for N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine is CC(=O)NCCCCCN.CC(=O)ON1C(=O)CCC1=O.NCCCCCN.
What is the InChIKey of N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine?
The InChIKey is VVKGQSNXDAIHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C6H7NO4.C5H14N2/c1-7(10)9-6-4-2-3-5-8;1-4(8)11-7-5(9)2-3-6(7)10;6-4-2-1-3-5-7/h2-6,8H2,1H3,(H,9,10);2-3H2,1H3;1-7H2.
What are the key properties of N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine?
N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine has a molecular weight of 403.52 g/mol, XLogP of -0.06, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine is sourced from PubChem (CID 161410533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).