chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate

C14H31CrN4O-2 — CID 131857936

IUPACchromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate
SMILESC1C[N-]CCC[N-]CC[N-]CCC[N-]C1.O.[CH2-]CC.[Cr+3]
InChIInChI=1S/C11H22N4.C3H7.Cr.H2O/c1-4-12-6-2-8-14-10-11-15-9-3-7-13-5-1;1-3-2;;/h1-11H2;1,3H2,2H3;;1H2/q-4;-1;+3;
InChIKeyNZNXOIDEYHMKGL-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.07
Rot. Bonds

About chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate

chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate (PubChem CID 131857936) has the molecular formula C14H31CrN4O-2 and a molecular weight of 323.43 g/mol. Its IUPAC name is chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate.

Molecular Properties

Compound Namechromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate
PubChem CID131857936
Molecular FormulaC14H31CrN4O-2
Molecular Weight323.43 g/mol
Exact Mass323.19
IUPAC Namechromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate
SMILESC1C[N-]CCC[N-]CC[N-]CCC[N-]C1.O.[CH2-]CC.[Cr+3]
InChIInChI=1S/C11H22N4.C3H7.Cr.H2O/c1-4-12-6-2-8-14-10-11-15-9-3-7-13-5-1;1-3-2;;/h1-11H2;1,3H2,2H3;;1H2/q-4;-1;+3;
InChIKeyNZNXOIDEYHMKGL-UHFFFAOYSA-N
XLogP3.07
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

nickel(2+);1,4,8,11-tetrazanidacyclopentadecane
CID 50896977
propane;titanium(2+);dihydrate
CID 164789327
CID 6329161
CID 6329161
bis(nickel(2+));6-[2-(1,4,8,11-tetrazanidacyclotetradec-6-yl)ethyl]-1,4,8,11-tetrazanidacyclotetradecane
CID 50896978
silver propane
CID 18629779
propane;uranium
CID 58593144
carbon monoxide;cyclopentane;iron;propane
CID 23230162
oxotitanium(1+);propane;hydrate
CID 88697820
iron(3+);piperidin-1-ide
CID 150983339
lithium azanidacycloheptane
CID 11105324
carbanide;chromium(2+);propane
CID 20668840
beryllium;sodium;propane
CID 134905882

Frequently Asked Questions

What is the IUPAC name of chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate?
The IUPAC name of chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate (CID 131857936) is chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate.
What is the SMILES notation for chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate?
The canonical SMILES for chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate is C1C[N-]CCC[N-]CC[N-]CCC[N-]C1.O.[CH2-]CC.[Cr+3].
What is the InChIKey of chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate?
The InChIKey is NZNXOIDEYHMKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4.C3H7.Cr.H2O/c1-4-12-6-2-8-14-10-11-15-9-3-7-13-5-1;1-3-2;;/h1-11H2;1,3H2,2H3;;1H2/q-4;-1;+3;.
What are the key properties of chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate?
chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate has a molecular weight of 323.43 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate is sourced from PubChem (CID 131857936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).