6-amino-2-(pentylamino)hexanoic acid;azane

C11H27N3O2 — CID 174768521

IUPAC6-amino-2-(pentylamino)hexanoic acid;azane
SMILESCCCCCNC(CCCCN)C(=O)O.N
InChIInChI=1S/C11H24N2O2.H3N/c1-2-3-6-9-13-10(11(14)15)7-4-5-8-12;/h10,13H,2-9,12H2,1H3,(H,14,15);1H3
InChIKeyXBJZQEXMEWNOFO-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.51
Rot. Bonds10

About 6-amino-2-(pentylamino)hexanoic acid;azane

6-amino-2-(pentylamino)hexanoic acid;azane (PubChem CID 174768521) has the molecular formula C11H27N3O2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 6-amino-2-(pentylamino)hexanoic acid;azane.

Molecular Properties

Compound Name6-amino-2-(pentylamino)hexanoic acid;azane
PubChem CID174768521
Molecular FormulaC11H27N3O2
Molecular Weight233.36 g/mol
Exact Mass233.21
IUPAC Name6-amino-2-(pentylamino)hexanoic acid;azane
SMILESCCCCCNC(CCCCN)C(=O)O.N
InChIInChI=1S/C11H24N2O2.H3N/c1-2-3-6-9-13-10(11(14)15)7-4-5-8-12;/h10,13H,2-9,12H2,1H3,(H,14,15);1H3
InChIKeyXBJZQEXMEWNOFO-UHFFFAOYSA-N
XLogP1.51
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.51
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
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
2-(pentylamino)octanoic acid
CID 129188286
2-(dodecylamino)hexanoic acid
CID 139637216
5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
CID 174056033
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
CID 164521049
sodium (2S)-6-amino-2-(octadecylamino)hexanoate
CID 172749951
2-(propylamino)tetradecanoic acid
CID 54527307
(2S)-2-(6-carboxyhexylamino)decanoic acid
CID 124673847
2-(6-aminohexylamino)decanedioic acid
CID 140815288
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(pentylamino)hexanoic acid;azane?
The IUPAC name of 6-amino-2-(pentylamino)hexanoic acid;azane (CID 174768521) is 6-amino-2-(pentylamino)hexanoic acid;azane.
What is the SMILES notation for 6-amino-2-(pentylamino)hexanoic acid;azane?
The canonical SMILES for 6-amino-2-(pentylamino)hexanoic acid;azane is CCCCCNC(CCCCN)C(=O)O.N.
What is the InChIKey of 6-amino-2-(pentylamino)hexanoic acid;azane?
The InChIKey is XBJZQEXMEWNOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2.H3N/c1-2-3-6-9-13-10(11(14)15)7-4-5-8-12;/h10,13H,2-9,12H2,1H3,(H,14,15);1H3.
What are the key properties of 6-amino-2-(pentylamino)hexanoic acid;azane?
6-amino-2-(pentylamino)hexanoic acid;azane has a molecular weight of 233.36 g/mol, XLogP of 1.51, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(pentylamino)hexanoic acid;azane is sourced from PubChem (CID 174768521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).