2-(6-aminohexylamino)decanedioic acid

C16H32N2O4 — CID 140815288

IUPAC2-(6-aminohexylamino)decanedioic acid
SMILESNCCCCCCNC(CCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C16H32N2O4/c17-12-8-4-5-9-13-18-14(16(21)22)10-6-2-1-3-7-11-15(19)20/h14,18H,1-13,17H2,(H,19,20)(H,21,22)
InChIKeyZIDIOHONFMFYRZ-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.36
Rot. Bonds16

About 2-(6-aminohexylamino)decanedioic acid

2-(6-aminohexylamino)decanedioic acid (PubChem CID 140815288) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-(6-aminohexylamino)decanedioic acid.

Molecular Properties

Compound Name2-(6-aminohexylamino)decanedioic acid
PubChem CID140815288
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Name2-(6-aminohexylamino)decanedioic acid
SMILESNCCCCCCNC(CCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C16H32N2O4/c17-12-8-4-5-9-13-18-14(16(21)22)10-6-2-1-3-7-11-15(19)20/h14,18H,1-13,17H2,(H,19,20)(H,21,22)
InChIKeyZIDIOHONFMFYRZ-UHFFFAOYSA-N
XLogP2.36
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.36
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

(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
CID 164521049
5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
CID 174056033
(2S)-2-(15-carboxypentadecylamino)pentanedioic acid
CID 90970159
(2S)-2-(6-carboxyhexylamino)decanoic acid
CID 124673847
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid
CID 174209954
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521
18-[[(1S)-5-amino-1-carboxypentyl]amino]-18-oxooctadecanoic acid
CID 177296826
(2S)-5-amino-2-(4-aminobutylamino)-5-oxopentanoic acid
CID 6453601
(2S)-2-(5-aminopentylamino)butanedioic acid
CID 122552658
6-amino-2-(carboxymethylamino)hexanoic acid
CID 11680034

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminohexylamino)decanedioic acid?
The IUPAC name of 2-(6-aminohexylamino)decanedioic acid (CID 140815288) is 2-(6-aminohexylamino)decanedioic acid.
What is the SMILES notation for 2-(6-aminohexylamino)decanedioic acid?
The canonical SMILES for 2-(6-aminohexylamino)decanedioic acid is NCCCCCCNC(CCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 2-(6-aminohexylamino)decanedioic acid?
The InChIKey is ZIDIOHONFMFYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c17-12-8-4-5-9-13-18-14(16(21)22)10-6-2-1-3-7-11-15(19)20/h14,18H,1-13,17H2,(H,19,20)(H,21,22).
What are the key properties of 2-(6-aminohexylamino)decanedioic acid?
2-(6-aminohexylamino)decanedioic acid has a molecular weight of 316.44 g/mol, XLogP of 2.36, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexylamino)decanedioic acid is sourced from PubChem (CID 140815288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).