6,7-diaminononanoic acid

C9H20N2O2 — CID 22628832

IUPAC6,7-diaminononanoic acid
SMILESCCC(N)C(N)CCCCC(=O)O
InChIInChI=1S/C9H20N2O2/c1-2-7(10)8(11)5-3-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)
InChIKeyBEANLYHEADQQBN-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.70
Rot. Bonds7

About 6,7-diaminononanoic acid

6,7-diaminononanoic acid (PubChem CID 22628832) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6,7-diaminononanoic acid.

Molecular Properties

Compound Name6,7-diaminononanoic acid
PubChem CID22628832
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name6,7-diaminononanoic acid
SMILESCCC(N)C(N)CCCCC(=O)O
InChIInChI=1S/C9H20N2O2/c1-2-7(10)8(11)5-3-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)
InChIKeyBEANLYHEADQQBN-UHFFFAOYSA-N
XLogP0.70
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.70
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

18-ethoxy-17-ethoxycarbonyl-18-oxooctadecanoic acid
CID 86116026
(6S)-6-aminoheptanoic acid
CID 54134193
9-aminopentadecanoic acid
CID 87304604
7-aminoundecanoic acid
CID 87457372
dodecanedioic acid;2-undecylpropanedioic acid
CID 160978167
11-aminotetradecanoic acid
CID 87305919
2-octylpropanedioic acid;undecanedioic acid
CID 159177053
6,12-diaminoheptadecanedioic acid
CID 23455605
14-aminopentadecanoic acid
CID 87306551
10-aminoundecanoic acid
CID 3771397
5-ethyldecanedioic acid
CID 54495296
5-aminododecanedioic acid
CID 3835680

Frequently Asked Questions

What is the IUPAC name of 6,7-diaminononanoic acid?
The IUPAC name of 6,7-diaminononanoic acid (CID 22628832) is 6,7-diaminononanoic acid.
What is the SMILES notation for 6,7-diaminononanoic acid?
The canonical SMILES for 6,7-diaminononanoic acid is CCC(N)C(N)CCCCC(=O)O.
What is the InChIKey of 6,7-diaminononanoic acid?
The InChIKey is BEANLYHEADQQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-2-7(10)8(11)5-3-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13).
What are the key properties of 6,7-diaminononanoic acid?
6,7-diaminononanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diaminononanoic acid is sourced from PubChem (CID 22628832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).