4-aminopentyl 3-amino-2,2-dimethylbutanoate

C11H24N2O2 — CID 163464573

IUPAC4-aminopentyl 3-amino-2,2-dimethylbutanoate
SMILESCC(N)CCCOC(=O)C(C)(C)C(C)N
InChIInChI=1S/C11H24N2O2/c1-8(12)6-5-7-15-10(14)11(3,4)9(2)13/h8-9H,5-7,12-13H2,1-4H3
InChIKeyBRLAUQWZLYWMEW-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.03
Rot. Bonds6

About 4-aminopentyl 3-amino-2,2-dimethylbutanoate

4-aminopentyl 3-amino-2,2-dimethylbutanoate (PubChem CID 163464573) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-aminopentyl 3-amino-2,2-dimethylbutanoate.

Molecular Properties

Compound Name4-aminopentyl 3-amino-2,2-dimethylbutanoate
PubChem CID163464573
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-aminopentyl 3-amino-2,2-dimethylbutanoate
SMILESCC(N)CCCOC(=O)C(C)(C)C(C)N
InChIInChI=1S/C11H24N2O2/c1-8(12)6-5-7-15-10(14)11(3,4)9(2)13/h8-9H,5-7,12-13H2,1-4H3
InChIKeyBRLAUQWZLYWMEW-UHFFFAOYSA-N
XLogP1.03
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(5R)-5-aminohexyl] 2,2,2-trifluoroacetate
CID 88924333
[5-(2,2-dimethylpropanoyloxy)-4-methylpentyl] 2,2-dimethylpropanoate
CID 151303076
butyl 3-amino-2,2-dimethylheptadecanoate
CID 88632153
4-methylpentyl 3-amino-2,2,3-trimethylbutanoate
CID 65266065
5-methylhexyl 2,2-dimethylpropanoate
CID 88620729
16-methylheptadecyl 2,2,3-trimethylhexanoate
CID 19704601
didecyl 3,12-didecyl-2,2,13,13-tetramethyltetradecanedioate
CID 140868250
butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate
CID 151232274
(2S)-5-methoxypentan-2-amine
CID 93315322
2-[(2-methylpropan-2-yl)oxy]ethyl 6-amino-2-methylheptanoate
CID 112588229
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
bis(6-methylheptyl) 2,2,3,3-tetrafluorobutanedioate
CID 174482724

Frequently Asked Questions

What is the IUPAC name of 4-aminopentyl 3-amino-2,2-dimethylbutanoate?
The IUPAC name of 4-aminopentyl 3-amino-2,2-dimethylbutanoate (CID 163464573) is 4-aminopentyl 3-amino-2,2-dimethylbutanoate.
What is the SMILES notation for 4-aminopentyl 3-amino-2,2-dimethylbutanoate?
The canonical SMILES for 4-aminopentyl 3-amino-2,2-dimethylbutanoate is CC(N)CCCOC(=O)C(C)(C)C(C)N.
What is the InChIKey of 4-aminopentyl 3-amino-2,2-dimethylbutanoate?
The InChIKey is BRLAUQWZLYWMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(12)6-5-7-15-10(14)11(3,4)9(2)13/h8-9H,5-7,12-13H2,1-4H3.
What are the key properties of 4-aminopentyl 3-amino-2,2-dimethylbutanoate?
4-aminopentyl 3-amino-2,2-dimethylbutanoate has a molecular weight of 216.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopentyl 3-amino-2,2-dimethylbutanoate is sourced from PubChem (CID 163464573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).