4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid

C15H33N3O2 — CID 102996545

IUPAC4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)N(CC)CCCN(C)C)C(=O)O
InChIInChI=1S/C15H33N3O2/c1-7-16-15(4,14(19)20)12-13(3)18(8-2)11-9-10-17(5)6/h13,16H,7-12H2,1-6H3,(H,19,20)
InChIKeyCBRMCQGTOLTZMF-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.49
Rot. Bonds11

About 4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid

4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid (PubChem CID 102996545) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid
PubChem CID102996545
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Name4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)N(CC)CCCN(C)C)C(=O)O
InChIInChI=1S/C15H33N3O2/c1-7-16-15(4,14(19)20)12-13(3)18(8-2)11-9-10-17(5)6/h13,16H,7-12H2,1-6H3,(H,19,20)
InChIKeyCBRMCQGTOLTZMF-UHFFFAOYSA-N
XLogP1.49
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid?
The IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid (CID 102996545) is 4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid?
The canonical SMILES for 4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid is CCNC(C)(CC(C)N(CC)CCCN(C)C)C(=O)O.
What is the InChIKey of 4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid?
The InChIKey is CBRMCQGTOLTZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-7-16-15(4,14(19)20)12-13(3)18(8-2)11-9-10-17(5)6/h13,16H,7-12H2,1-6H3,(H,19,20).
What are the key properties of 4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid?
4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid has a molecular weight of 287.45 g/mol, XLogP of 1.49, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 102996545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).