N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride

C14H27Cl2NTi — CID 87864504

IUPACN,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.Cl.Cl.[CH2-]CCN(C)C.[Ti+2]
InChIInChI=1S/C9H13.C5H12N.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4-5-6(2)3;;;/h6H,1-4H3;1,4-5H2,2-3H3;2*1H;/q2*-1;;;+2
InChIKeyJGVLTXNCPKRTMQ-UHFFFAOYSA-N
MW328.15 g/mol
LogP4.34
Rot. Bonds2

About N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride

N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride (PubChem CID 87864504) has the molecular formula C14H27Cl2NTi and a molecular weight of 328.15 g/mol. Its IUPAC name is N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride.

Molecular Properties

Compound NameN,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride
PubChem CID87864504
Molecular FormulaC14H27Cl2NTi
Molecular Weight328.15 g/mol
Exact Mass327.10
IUPAC NameN,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.Cl.Cl.[CH2-]CCN(C)C.[Ti+2]
InChIInChI=1S/C9H13.C5H12N.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4-5-6(2)3;;;/h6H,1-4H3;1,4-5H2,2-3H3;2*1H;/q2*-1;;;+2
InChIKeyJGVLTXNCPKRTMQ-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride?
The IUPAC name of N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride (CID 87864504) is N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride.
What is the SMILES notation for N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride?
The canonical SMILES for N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride is CC1=[C-]C(C)C(C)=C1C.Cl.Cl.[CH2-]CCN(C)C.[Ti+2].
What is the InChIKey of N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride?
The InChIKey is JGVLTXNCPKRTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C5H12N.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4-5-6(2)3;;;/h6H,1-4H3;1,4-5H2,2-3H3;2*1H;/q2*-1;;;+2.
What are the key properties of N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride?
N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride has a molecular weight of 328.15 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-1-amine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride is sourced from PubChem (CID 87864504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).