8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid

C23H46N2O3 — CID 58807800

IUPAC8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid
SMILESCC(C)C(CC(=O)O)C(C)(C)C(C)(C)C(CC(=O)NCCCCCN)C(C)C
InChIInChI=1S/C23H46N2O3/c1-16(2)18(14-20(26)25-13-11-9-10-12-24)22(5,6)23(7,8)19(17(3)4)15-21(27)28/h16-19H,9-15,24H2,1-8H3,(H,25,26)(H,27,28)
InChIKeyHZZHOBSXMYAYST-UHFFFAOYSA-N
MW398.63 g/mol
LogP4.69
Rot. Bonds14

About 8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid

8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid (PubChem CID 58807800) has the molecular formula C23H46N2O3 and a molecular weight of 398.63 g/mol. Its IUPAC name is 8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid.

Molecular Properties

Compound Name8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid
PubChem CID58807800
Molecular FormulaC23H46N2O3
Molecular Weight398.63 g/mol
Exact Mass398.35
IUPAC Name8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid
SMILESCC(C)C(CC(=O)O)C(C)(C)C(C)(C)C(CC(=O)NCCCCCN)C(C)C
InChIInChI=1S/C23H46N2O3/c1-16(2)18(14-20(26)25-13-11-9-10-12-24)22(5,6)23(7,8)19(17(3)4)15-21(27)28/h16-19H,9-15,24H2,1-8H3,(H,25,26)(H,27,28)
InChIKeyHZZHOBSXMYAYST-UHFFFAOYSA-N
XLogP4.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.63
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965238
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide
CID 19920859
6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
CID 102236503
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253

Frequently Asked Questions

What is the IUPAC name of 8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid?
The IUPAC name of 8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid (CID 58807800) is 8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid.
What is the SMILES notation for 8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid?
The canonical SMILES for 8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid is CC(C)C(CC(=O)O)C(C)(C)C(C)(C)C(CC(=O)NCCCCCN)C(C)C.
What is the InChIKey of 8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid?
The InChIKey is HZZHOBSXMYAYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O3/c1-16(2)18(14-20(26)25-13-11-9-10-12-24)22(5,6)23(7,8)19(17(3)4)15-21(27)28/h16-19H,9-15,24H2,1-8H3,(H,25,26)(H,27,28).
What are the key properties of 8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid?
8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid has a molecular weight of 398.63 g/mol, XLogP of 4.69, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid is sourced from PubChem (CID 58807800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).