5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid

C16H35N3O2 — CID 106806270

IUPAC5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CCCN(C)CCCN(C)C)C(=O)O
InChIInChI=1S/C16H35N3O2/c1-6-11-17-16(7-2,15(20)21)10-8-13-19(5)14-9-12-18(3)4/h17H,6-14H2,1-5H3,(H,20,21)
InChIKeyLSJQLFTZBMVPRE-UHFFFAOYSA-N
MW301.47 g/mol
LogP1.88
Rot. Bonds13

About 5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid

5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid (PubChem CID 106806270) has the molecular formula C16H35N3O2 and a molecular weight of 301.47 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid
PubChem CID106806270
Molecular FormulaC16H35N3O2
Molecular Weight301.47 g/mol
Exact Mass301.27
IUPAC Name5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CCCN(C)CCCN(C)C)C(=O)O
InChIInChI=1S/C16H35N3O2/c1-6-11-17-16(7-2,15(20)21)10-8-13-19(5)14-9-12-18(3)4/h17H,6-14H2,1-5H3,(H,20,21)
InChIKeyLSJQLFTZBMVPRE-UHFFFAOYSA-N
XLogP1.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806056
3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide
CID 55226009
2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 106807111
5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid
CID 106806896
2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 106806277
2-ethyl-2-(hexylamino)butanoic acid
CID 79804258
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806249
2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid
CID 106806182
5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
CID 106806409
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid
CID 106806747
2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid
CID 63700666
2-ethyl-5-(2-methylphenyl)sulfanyl-2-(propylamino)pentanoic acid
CID 106807412

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid?
The IUPAC name of 5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid (CID 106806270) is 5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid is CCCNC(CC)(CCCN(C)CCCN(C)C)C(=O)O.
What is the InChIKey of 5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid?
The InChIKey is LSJQLFTZBMVPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O2/c1-6-11-17-16(7-2,15(20)21)10-8-13-19(5)14-9-12-18(3)4/h17H,6-14H2,1-5H3,(H,20,21).
What are the key properties of 5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid?
5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid has a molecular weight of 301.47 g/mol, XLogP of 1.88, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 106806270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).