6,6,6-triaminohexanoic acid

C6H15N3O2 — CID 131720979

IUPAC6,6,6-triaminohexanoic acid
SMILESNC(N)(N)CCCCC(=O)O
InChIInChI=1S/C6H15N3O2/c7-6(8,9)4-2-1-3-5(10)11/h1-4,7-9H2,(H,10,11)
InChIKeyFOWCHXWYEPAHAL-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.84
Rot. Bonds5

About 6,6,6-triaminohexanoic acid

6,6,6-triaminohexanoic acid (PubChem CID 131720979) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is 6,6,6-triaminohexanoic acid.

Molecular Properties

Compound Name6,6,6-triaminohexanoic acid
PubChem CID131720979
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name6,6,6-triaminohexanoic acid
SMILESNC(N)(N)CCCCC(=O)O
InChIInChI=1S/C6H15N3O2/c7-6(8,9)4-2-1-3-5(10)11/h1-4,7-9H2,(H,10,11)
InChIKeyFOWCHXWYEPAHAL-UHFFFAOYSA-N
XLogP-0.84
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azane;2,2-diaminoheptanedioic acid
CID 174813114
16,16,16-trihydroxyhexadecanoic acid
CID 57274124
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
azane;hexanedioic acid
CID 14323449
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033

Frequently Asked Questions

What is the IUPAC name of 6,6,6-triaminohexanoic acid?
The IUPAC name of 6,6,6-triaminohexanoic acid (CID 131720979) is 6,6,6-triaminohexanoic acid.
What is the SMILES notation for 6,6,6-triaminohexanoic acid?
The canonical SMILES for 6,6,6-triaminohexanoic acid is NC(N)(N)CCCCC(=O)O.
What is the InChIKey of 6,6,6-triaminohexanoic acid?
The InChIKey is FOWCHXWYEPAHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c7-6(8,9)4-2-1-3-5(10)11/h1-4,7-9H2,(H,10,11).
What are the key properties of 6,6,6-triaminohexanoic acid?
6,6,6-triaminohexanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.84, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-triaminohexanoic acid is sourced from PubChem (CID 131720979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).