2,6-diaminohexanoic acid;titanium

C6H14N2O2Ti — CID 174642581

IUPAC2,6-diaminohexanoic acid;titanium
SMILESNCCCCC(N)C(=O)O.[Ti]
InChIInChI=1S/C6H14N2O2.Ti/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);
InChIKeyBPWZYTQUHYMDNT-UHFFFAOYSA-N
MW194.06 g/mol
LogP-0.48
Rot. Bonds5

About 2,6-diaminohexanoic acid;titanium

2,6-diaminohexanoic acid;titanium (PubChem CID 174642581) has the molecular formula C6H14N2O2Ti and a molecular weight of 194.06 g/mol. Its IUPAC name is 2,6-diaminohexanoic acid;titanium.

Molecular Properties

Compound Name2,6-diaminohexanoic acid;titanium
PubChem CID174642581
Molecular FormulaC6H14N2O2Ti
Molecular Weight194.06 g/mol
Exact Mass194.05
IUPAC Name2,6-diaminohexanoic acid;titanium
SMILESNCCCCC(N)C(=O)O.[Ti]
InChIInChI=1S/C6H14N2O2.Ti/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);
InChIKeyBPWZYTQUHYMDNT-UHFFFAOYSA-N
XLogP-0.48
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-diaminohexanoic acid;titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
CID 158432126
CID 158432126
(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
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533

Frequently Asked Questions

What is the IUPAC name of 2,6-diaminohexanoic acid;titanium?
The IUPAC name of 2,6-diaminohexanoic acid;titanium (CID 174642581) is 2,6-diaminohexanoic acid;titanium.
What is the SMILES notation for 2,6-diaminohexanoic acid;titanium?
The canonical SMILES for 2,6-diaminohexanoic acid;titanium is NCCCCC(N)C(=O)O.[Ti].
What is the InChIKey of 2,6-diaminohexanoic acid;titanium?
The InChIKey is BPWZYTQUHYMDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.Ti/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);.
What are the key properties of 2,6-diaminohexanoic acid;titanium?
2,6-diaminohexanoic acid;titanium has a molecular weight of 194.06 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminohexanoic acid;titanium is sourced from PubChem (CID 174642581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).