3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide

C11H23N3O2 — CID 106276822

IUPAC3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)CCCCN
InChIInChI=1S/C11H23N3O2/c1-11(2,10(16)13-3)8-14-9(15)6-4-5-7-12/h4-8,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyIWQATVCJDLLBBD-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.00
Rot. Bonds7

About 3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide

3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide (PubChem CID 106276822) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide
PubChem CID106276822
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)CCCCN
InChIInChI=1S/C11H23N3O2/c1-11(2,10(16)13-3)8-14-9(15)6-4-5-7-12/h4-8,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyIWQATVCJDLLBBD-UHFFFAOYSA-N
XLogP0.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid
CID 114167176
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106275580
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate
CID 119326927
5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040
7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
CID 79550577
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
6-amino-N-[2-(dimethylamino)-2-methylpropyl]hexanamide
CID 61249637
5-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pentanamide
CID 106148441
6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide
CID 24697839
7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide (CID 106276822) is 3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)CCCCN.
What is the InChIKey of 3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide?
The InChIKey is IWQATVCJDLLBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2,10(16)13-3)8-14-9(15)6-4-5-7-12/h4-8,12H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide?
3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide has a molecular weight of 229.32 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106276822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).