5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride

C11H28Cl3N3O2 — CID 174056033

IUPAC5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
SMILESCl.Cl.Cl.NCCCCCCNC(CCCN)C(=O)O
InChIInChI=1S/C11H25N3O2.3ClH/c12-7-3-1-2-4-9-14-10(11(15)16)6-5-8-13;;;/h10,14H,1-9,12-13H2,(H,15,16);3*1H
InChIKeyPTDHIOJUTFDWID-UHFFFAOYSA-N
MW340.72 g/mol
LogP1.55
Rot. Bonds11

About 5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride

5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride (PubChem CID 174056033) has the molecular formula C11H28Cl3N3O2 and a molecular weight of 340.72 g/mol. Its IUPAC name is 5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride.

Molecular Properties

Compound Name5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
PubChem CID174056033
Molecular FormulaC11H28Cl3N3O2
Molecular Weight340.72 g/mol
Exact Mass339.12
IUPAC Name5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
SMILESCl.Cl.Cl.NCCCCCCNC(CCCN)C(=O)O
InChIInChI=1S/C11H25N3O2.3ClH/c12-7-3-1-2-4-9-14-10(11(15)16)6-5-8-13;;;/h10,14H,1-9,12-13H2,(H,15,16);3*1H
InChIKeyPTDHIOJUTFDWID-UHFFFAOYSA-N
XLogP1.55
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.72
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-(hexylamino)hexanoic acid
CID 87424914
2-(6-aminohexylamino)decanedioic acid
CID 140815288
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid
CID 174209954
(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
CID 164521049
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521
(2S)-5-amino-2-(4-aminobutylamino)-5-oxopentanoic acid
CID 6453601
(2S)-2-(5-aminopentylamino)butanedioic acid
CID 122552658
(2S)-6-amino-2-(3,3-dihydroxypropylamino)hexanoic acid
CID 87855201
(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
(2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid
CID 11141221

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride?
The IUPAC name of 5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride (CID 174056033) is 5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride.
What is the SMILES notation for 5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride?
The canonical SMILES for 5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride is Cl.Cl.Cl.NCCCCCCNC(CCCN)C(=O)O.
What is the InChIKey of 5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride?
The InChIKey is PTDHIOJUTFDWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2.3ClH/c12-7-3-1-2-4-9-14-10(11(15)16)6-5-8-13;;;/h10,14H,1-9,12-13H2,(H,15,16);3*1H.
What are the key properties of 5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride?
5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride has a molecular weight of 340.72 g/mol, XLogP of 1.55, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride is sourced from PubChem (CID 174056033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).