cyclopenta-1,3-diene;N-ethylethanamine;titanium

C9H17NTi — CID 175307434

IUPACcyclopenta-1,3-diene;N-ethylethanamine;titanium
SMILESC1=CCC=C1.CCNCC.[Ti]
InChIInChI=1S/C5H6.C4H11N.Ti/c1-2-4-5-3-1;1-3-5-4-2;/h1-4H,5H2;5H,3-4H2,1-2H3;
InChIKeyGSHWMLZLYJIDJD-UHFFFAOYSA-N
MW187.11 g/mol
LogP2.12
Rot. Bonds2

About cyclopenta-1,3-diene;N-ethylethanamine;titanium

cyclopenta-1,3-diene;N-ethylethanamine;titanium (PubChem CID 175307434) has the molecular formula C9H17NTi and a molecular weight of 187.11 g/mol. Its IUPAC name is cyclopenta-1,3-diene;N-ethylethanamine;titanium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;N-ethylethanamine;titanium
PubChem CID175307434
Molecular FormulaC9H17NTi
Molecular Weight187.11 g/mol
Exact Mass187.08
IUPAC Namecyclopenta-1,3-diene;N-ethylethanamine;titanium
SMILESC1=CCC=C1.CCNCC.[Ti]
InChIInChI=1S/C5H6.C4H11N.Ti/c1-2-4-5-3-1;1-3-5-4-2;/h1-4H,5H2;5H,3-4H2,1-2H3;
InChIKeyGSHWMLZLYJIDJD-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(cyclopenta-1,3-diene);hydride;tungsten(2+)
CID 175878705
cyclopenta-1,3-diene
CID 159248657
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
cyclopenta-1,3-diene;ethoxyethane
CID 67913877
N-ethylethanamine;oxoiron
CID 175322821
but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane
CID 160779523
cyclopenta-1,3-diene;indigane;triethylgermane
CID 175188989
(1Z,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaene
CID 102477763
N-ethylethanamine;platinum
CID 88506582
potassium cyclopenta-1,3-diene
CID 22494929
sodium cyclopenta-1,3-diene
CID 19606718
N-ethylethanamine;yttrium
CID 174702634

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;N-ethylethanamine;titanium?
The IUPAC name of cyclopenta-1,3-diene;N-ethylethanamine;titanium (CID 175307434) is cyclopenta-1,3-diene;N-ethylethanamine;titanium.
What is the SMILES notation for cyclopenta-1,3-diene;N-ethylethanamine;titanium?
The canonical SMILES for cyclopenta-1,3-diene;N-ethylethanamine;titanium is C1=CCC=C1.CCNCC.[Ti].
What is the InChIKey of cyclopenta-1,3-diene;N-ethylethanamine;titanium?
The InChIKey is GSHWMLZLYJIDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.C4H11N.Ti/c1-2-4-5-3-1;1-3-5-4-2;/h1-4H,5H2;5H,3-4H2,1-2H3;.
What are the key properties of cyclopenta-1,3-diene;N-ethylethanamine;titanium?
cyclopenta-1,3-diene;N-ethylethanamine;titanium has a molecular weight of 187.11 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;N-ethylethanamine;titanium is sourced from PubChem (CID 175307434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).