(2S)-2,6-diaminohexanoic acid;piperazine

C10H24N4O2 — CID 158265078

IUPAC(2S)-2,6-diaminohexanoic acid;piperazine
SMILESC1CNCCN1.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.C4H10N2/c7-4-2-1-3-5(8)6(9)10;1-2-6-4-3-5-1/h5H,1-4,7-8H2,(H,9,10);5-6H,1-4H2/t5-;/m0./s1
InChIKeyGIILEDSLOFRKFB-JEDNCBNOSA-N
MW232.33 g/mol
LogP-1.29
Rot. Bonds5

About (2S)-2,6-diaminohexanoic acid;piperazine

(2S)-2,6-diaminohexanoic acid;piperazine (PubChem CID 158265078) has the molecular formula C10H24N4O2 and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoic acid;piperazine.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoic acid;piperazine
PubChem CID158265078
Molecular FormulaC10H24N4O2
Molecular Weight232.33 g/mol
Exact Mass232.19
IUPAC Name(2S)-2,6-diaminohexanoic acid;piperazine
SMILESC1CNCCN1.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.C4H10N2/c7-4-2-1-3-5(8)6(9)10;1-2-6-4-3-5-1/h5H,1-4,7-8H2,(H,9,10);5-6H,1-4H2/t5-;/m0./s1
InChIKeyGIILEDSLOFRKFB-JEDNCBNOSA-N
XLogP-1.29
TPSA113.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 5-1.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexanoic acid;piperazine?
The IUPAC name of (2S)-2,6-diaminohexanoic acid;piperazine (CID 158265078) is (2S)-2,6-diaminohexanoic acid;piperazine.
What is the SMILES notation for (2S)-2,6-diaminohexanoic acid;piperazine?
The canonical SMILES for (2S)-2,6-diaminohexanoic acid;piperazine is C1CNCCN1.NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,6-diaminohexanoic acid;piperazine?
The InChIKey is GIILEDSLOFRKFB-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O2.C4H10N2/c7-4-2-1-3-5(8)6(9)10;1-2-6-4-3-5-1/h5H,1-4,7-8H2,(H,9,10);5-6H,1-4H2/t5-;/m0./s1.
What are the key properties of (2S)-2,6-diaminohexanoic acid;piperazine?
(2S)-2,6-diaminohexanoic acid;piperazine has a molecular weight of 232.33 g/mol, XLogP of -1.29, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoic acid;piperazine is sourced from PubChem (CID 158265078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).