3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide

C13H29N3O2 — CID 138480750

IUPAC3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide
SMILESCC(C)(CN)CC(C)(C)CNC(=O)CCOCN
InChIInChI=1S/C13H29N3O2/c1-12(2,8-14)7-13(3,4)9-16-11(17)5-6-18-10-15/h5-10,14-15H2,1-4H3,(H,16,17)
InChIKeyPGSLXDKBAIUVKO-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.83
Rot. Bonds9

About 3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide

3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide (PubChem CID 138480750) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide.

Molecular Properties

Compound Name3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide
PubChem CID138480750
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide
SMILESCC(C)(CN)CC(C)(C)CNC(=O)CCOCN
InChIInChI=1S/C13H29N3O2/c1-12(2,8-14)7-13(3,4)9-16-11(17)5-6-18-10-15/h5-10,14-15H2,1-4H3,(H,16,17)
InChIKeyPGSLXDKBAIUVKO-UHFFFAOYSA-N
XLogP0.83
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide?
The IUPAC name of 3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide (CID 138480750) is 3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide.
What is the SMILES notation for 3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide?
The canonical SMILES for 3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide is CC(C)(CN)CC(C)(C)CNC(=O)CCOCN.
What is the InChIKey of 3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide?
The InChIKey is PGSLXDKBAIUVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-12(2,8-14)7-13(3,4)9-16-11(17)5-6-18-10-15/h5-10,14-15H2,1-4H3,(H,16,17).
What are the key properties of 3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide?
3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide has a molecular weight of 259.39 g/mol, XLogP of 0.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethoxy)-N-(5-amino-2,2,4,4-tetramethylpentyl)propanamide is sourced from PubChem (CID 138480750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).