N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium

C10H28N4O3Ti — CID 90134017

IUPACN,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium
SMILESNCCCNCCCCNCCCN.O=[Ti](O)O
InChIInChI=1S/C10H26N4.2H2O.O.Ti/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;2*1H2;;/q;;;;+2/p-2
InChIKeyRHAKXCMRMRCJCV-UHFFFAOYSA-L
MW300.23 g/mol
LogP-1.59
Rot. Bonds11

About N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium

N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium (PubChem CID 90134017) has the molecular formula C10H28N4O3Ti and a molecular weight of 300.23 g/mol. Its IUPAC name is N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium.

Molecular Properties

Compound NameN,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium
PubChem CID90134017
Molecular FormulaC10H28N4O3Ti
Molecular Weight300.23 g/mol
Exact Mass300.16
IUPAC NameN,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium
SMILESNCCCNCCCCNCCCN.O=[Ti](O)O
InChIInChI=1S/C10H26N4.2H2O.O.Ti/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;2*1H2;;/q;;;;+2/p-2
InChIKeyRHAKXCMRMRCJCV-UHFFFAOYSA-L
XLogP-1.59
TPSA133.63 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.23
LogP ≤ 5-1.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)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

N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
CID 157082496
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
4-(3-aminopropylamino)butan-1-ol
CID 10725491
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
CID 174466716
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium?
The IUPAC name of N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium (CID 90134017) is N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium.
What is the SMILES notation for N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium?
The canonical SMILES for N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium is NCCCNCCCCNCCCN.O=[Ti](O)O.
What is the InChIKey of N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium?
The InChIKey is RHAKXCMRMRCJCV-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H26N4.2H2O.O.Ti/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;2*1H2;;/q;;;;+2/p-2.
What are the key properties of N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium?
N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium has a molecular weight of 300.23 g/mol, XLogP of -1.59, 11 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydroxy(oxo)titanium is sourced from PubChem (CID 90134017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).