5-(5-methylhexan-2-ylamino)pentanoic acid

C12H25NO2 — CID 103252184

IUPAC5-(5-methylhexan-2-ylamino)pentanoic acid
SMILESCC(C)CCC(C)NCCCCC(=O)O
InChIInChI=1S/C12H25NO2/c1-10(2)7-8-11(3)13-9-5-4-6-12(14)15/h10-11,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyNOKNSWBONSSZSB-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.66
Rot. Bonds9

About 5-(5-methylhexan-2-ylamino)pentanoic acid

5-(5-methylhexan-2-ylamino)pentanoic acid (PubChem CID 103252184) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-(5-methylhexan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(5-methylhexan-2-ylamino)pentanoic acid
PubChem CID103252184
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name5-(5-methylhexan-2-ylamino)pentanoic acid
SMILESCC(C)CCC(C)NCCCCC(=O)O
InChIInChI=1S/C12H25NO2/c1-10(2)7-8-11(3)13-9-5-4-6-12(14)15/h10-11,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyNOKNSWBONSSZSB-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid
CID 103266088
formaldehyde;methanol;18-(pentylamino)nonadecanoic acid
CID 145026869
(10R)-10-(2-hydroxyethylamino)undecanoic acid
CID 102119671
4-(6-hydroxyhexylamino)pentanoic acid
CID 107849657
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972
7-methyl-N-(7-methyloctyl)octan-1-amine;7-methyloctanoic acid
CID 172838661
4-(1-hydroxypropan-2-ylamino)butanoic acid
CID 43499958
N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148
6-methylheptanoic acid;vanadium
CID 174623955
λ2-plumbane;6-methylheptanoic acid
CID 175289081
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
16-methylheptadecanoic acid
CID 87200881

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylhexan-2-ylamino)pentanoic acid?
The IUPAC name of 5-(5-methylhexan-2-ylamino)pentanoic acid (CID 103252184) is 5-(5-methylhexan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-(5-methylhexan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-(5-methylhexan-2-ylamino)pentanoic acid is CC(C)CCC(C)NCCCCC(=O)O.
What is the InChIKey of 5-(5-methylhexan-2-ylamino)pentanoic acid?
The InChIKey is NOKNSWBONSSZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)7-8-11(3)13-9-5-4-6-12(14)15/h10-11,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 5-(5-methylhexan-2-ylamino)pentanoic acid?
5-(5-methylhexan-2-ylamino)pentanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylhexan-2-ylamino)pentanoic acid is sourced from PubChem (CID 103252184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).