2-(6-methylheptylamino)hexanoic acid

C14H29NO2 — CID 150739984

IUPAC2-(6-methylheptylamino)hexanoic acid
SMILESCCCCC(NCCCCCC(C)C)C(=O)O
InChIInChI=1S/C14H29NO2/c1-4-5-10-13(14(16)17)15-11-8-6-7-9-12(2)3/h12-13,15H,4-11H2,1-3H3,(H,16,17)
InChIKeyJTQGJLJCYNGNGL-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.44
Rot. Bonds11

About 2-(6-methylheptylamino)hexanoic acid

2-(6-methylheptylamino)hexanoic acid (PubChem CID 150739984) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(6-methylheptylamino)hexanoic acid.

Molecular Properties

Compound Name2-(6-methylheptylamino)hexanoic acid
PubChem CID150739984
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(6-methylheptylamino)hexanoic acid
SMILESCCCCC(NCCCCCC(C)C)C(=O)O
InChIInChI=1S/C14H29NO2/c1-4-5-10-13(14(16)17)15-11-8-6-7-9-12(2)3/h12-13,15H,4-11H2,1-3H3,(H,16,17)
InChIKeyJTQGJLJCYNGNGL-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.44
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

2-(dodecylamino)hexanoic acid
CID 139637216
2-(pentylamino)octanoic acid
CID 129188286
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(propylamino)tetradecanoic acid
CID 54527307
(2S)-2-(6-carboxyhexylamino)decanoic acid
CID 124673847
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
(2S)-2-(docosylamino)-4-methylpentanoic acid
CID 102091088
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521
(2S)-2-(hexylamino)pentanedioic acid
CID 54122466
2-(octadecylamino)pentanedioic acid
CID 18765951
2-(7-methyloctanoylamino)hexanoic acid
CID 118160586

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptylamino)hexanoic acid?
The IUPAC name of 2-(6-methylheptylamino)hexanoic acid (CID 150739984) is 2-(6-methylheptylamino)hexanoic acid.
What is the SMILES notation for 2-(6-methylheptylamino)hexanoic acid?
The canonical SMILES for 2-(6-methylheptylamino)hexanoic acid is CCCCC(NCCCCCC(C)C)C(=O)O.
What is the InChIKey of 2-(6-methylheptylamino)hexanoic acid?
The InChIKey is JTQGJLJCYNGNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-5-10-13(14(16)17)15-11-8-6-7-9-12(2)3/h12-13,15H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-(6-methylheptylamino)hexanoic acid?
2-(6-methylheptylamino)hexanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.44, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylheptylamino)hexanoic acid is sourced from PubChem (CID 150739984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).