6-amino-2-(1-aminoethylamino)hexanoic acid

C8H19N3O2 — CID 87754048

IUPAC6-amino-2-(1-aminoethylamino)hexanoic acid
SMILESCC(N)NC(CCCCN)C(=O)O
InChIInChI=1S/C8H19N3O2/c1-6(10)11-7(8(12)13)4-2-3-5-9/h6-7,11H,2-5,9-10H2,1H3,(H,12,13)
InChIKeySJGGABJZZXXJOV-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.54
Rot. Bonds7

About 6-amino-2-(1-aminoethylamino)hexanoic acid

6-amino-2-(1-aminoethylamino)hexanoic acid (PubChem CID 87754048) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 6-amino-2-(1-aminoethylamino)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(1-aminoethylamino)hexanoic acid
PubChem CID87754048
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name6-amino-2-(1-aminoethylamino)hexanoic acid
SMILESCC(N)NC(CCCCN)C(=O)O
InChIInChI=1S/C8H19N3O2/c1-6(10)11-7(8(12)13)4-2-3-5-9/h6-7,11H,2-5,9-10H2,1H3,(H,12,13)
InChIKeySJGGABJZZXXJOV-UHFFFAOYSA-N
XLogP-0.54
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.54
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

(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
CID 18639751
(2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid
CID 18605801
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
(2S)-6-amino-2-[(1-carboxy-3-oxobutyl)amino]hexanoic acid
CID 175733875
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid
CID 175695979
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-6-amino-2-[[(2S)-2-aminopropanethioyl]amino]hexanoic acid
CID 102491850
(2S)-6-amino-2-(deuteriooxyamino)hexanoic acid
CID 141398106
6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid
CID 174159805
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(1-aminoethylamino)hexanoic acid?
The IUPAC name of 6-amino-2-(1-aminoethylamino)hexanoic acid (CID 87754048) is 6-amino-2-(1-aminoethylamino)hexanoic acid.
What is the SMILES notation for 6-amino-2-(1-aminoethylamino)hexanoic acid?
The canonical SMILES for 6-amino-2-(1-aminoethylamino)hexanoic acid is CC(N)NC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-(1-aminoethylamino)hexanoic acid?
The InChIKey is SJGGABJZZXXJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-6(10)11-7(8(12)13)4-2-3-5-9/h6-7,11H,2-5,9-10H2,1H3,(H,12,13).
What are the key properties of 6-amino-2-(1-aminoethylamino)hexanoic acid?
6-amino-2-(1-aminoethylamino)hexanoic acid has a molecular weight of 189.26 g/mol, XLogP of -0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(1-aminoethylamino)hexanoic acid is sourced from PubChem (CID 87754048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).