5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid

C13H28N2O2 — CID 103244197

IUPAC5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid
SMILESCC(C)CC(CN(C)C)NCCCCC(=O)O
InChIInChI=1S/C13H28N2O2/c1-11(2)9-12(10-15(3)4)14-8-6-5-7-13(16)17/h11-12,14H,5-10H2,1-4H3,(H,16,17)
InChIKeyVYILSFGUYJMJQR-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.81
Rot. Bonds10

About 5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid

5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid (PubChem CID 103244197) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid
PubChem CID103244197
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid
SMILESCC(C)CC(CN(C)C)NCCCCC(=O)O
InChIInChI=1S/C13H28N2O2/c1-11(2)9-12(10-15(3)4)14-8-6-5-7-13(16)17/h11-12,14H,5-10H2,1-4H3,(H,16,17)
InChIKeyVYILSFGUYJMJQR-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963729
5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
2-N-(3-ethylsulfonylpropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65093049
5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid
CID 103266088
6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid
CID 82937405
(Z)-4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2-methylbut-2-enoic acid
CID 103244192
6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
CID 61196248
[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
7-methyl-N-(7-methyloctyl)octan-1-amine;7-methyloctanoic acid
CID 172838661
5-(1-hydroxypentan-3-ylamino)pentanoic acid
CID 103267708
4-(2,6-dimethylheptan-4-ylamino)butanamide
CID 60863746
2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 107445286

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid?
The IUPAC name of 5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid (CID 103244197) is 5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid.
What is the SMILES notation for 5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid?
The canonical SMILES for 5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid is CC(C)CC(CN(C)C)NCCCCC(=O)O.
What is the InChIKey of 5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid?
The InChIKey is VYILSFGUYJMJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)9-12(10-15(3)4)14-8-6-5-7-13(16)17/h11-12,14H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid?
5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid has a molecular weight of 244.38 g/mol, XLogP of 1.81, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid is sourced from PubChem (CID 103244197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).