6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid

C15H30N2O3 — CID 65285837

IUPAC6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)CCCCCCN)CCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-15(2,9-8-14(19)20)10-12-17-13(18)7-5-3-4-6-11-16/h3-12,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyYRTNUBXWJSAJAK-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.29
Rot. Bonds12

About 6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid

6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid (PubChem CID 65285837) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid
PubChem CID65285837
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)CCCCCCN)CCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-15(2,9-8-14(19)20)10-12-17-13(18)7-5-3-4-6-11-16/h3-12,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyYRTNUBXWJSAJAK-UHFFFAOYSA-N
XLogP2.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.29
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

6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65285788
4-(6-aminohexanoylamino)-4-methylheptanedioic acid
CID 146234237
6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 79257053

Frequently Asked Questions

What is the IUPAC name of 6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid?
The IUPAC name of 6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid (CID 65285837) is 6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid is CC(C)(CCNC(=O)CCCCCCN)CCC(=O)O.
What is the InChIKey of 6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid?
The InChIKey is YRTNUBXWJSAJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-15(2,9-8-14(19)20)10-12-17-13(18)7-5-3-4-6-11-16/h3-12,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid?
6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.29, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65285837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).