carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium

C18H39N2Zr-5 — CID 59887640

IUPACcarbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium
SMILESC[N-]C(C)[N-]CCCC1C(C)C(C)C(C)C1C.[CH3-].[CH3-].[CH3-].[Zr]
InChIInChI=1S/C15H30N2.3CH3.Zr/c1-10-11(2)13(4)15(12(10)3)8-7-9-17-14(5)16-6;;;;/h10-15H,7-9H2,1-6H3;3*1H3;/q-2;3*-1;
InChIKeyUPBPHKSXUPMXGS-UHFFFAOYSA-N
MW374.75 g/mol
LogP6.01
Rot. Bonds6

About carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium

carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium (PubChem CID 59887640) has the molecular formula C18H39N2Zr-5 and a molecular weight of 374.75 g/mol. Its IUPAC name is carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium.

Molecular Properties

Compound Namecarbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium
PubChem CID59887640
Molecular FormulaC18H39N2Zr-5
Molecular Weight374.75 g/mol
Exact Mass373.22
IUPAC Namecarbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium
SMILESC[N-]C(C)[N-]CCCC1C(C)C(C)C(C)C1C.[CH3-].[CH3-].[CH3-].[Zr]
InChIInChI=1S/C15H30N2.3CH3.Zr/c1-10-11(2)13(4)15(12(10)3)8-7-9-17-14(5)16-6;;;;/h10-15H,7-9H2,1-6H3;3*1H3;/q-2;3*-1;
InChIKeyUPBPHKSXUPMXGS-UHFFFAOYSA-N
XLogP6.01
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.75
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832
1,2-dimethyl-3-pentylcyclopropane
CID 524654
1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457
1,2-dimethyl-3-pentylcyclopropane;ethane
CID 143707793
N,N-dimethyl-3-(2,3,4,5-tetramethylcyclopentyl)propan-1-amine;methane;hydrochloride
CID 162298837
1,2-dimethyl-3-(3-methylpentyl)cyclopropane
CID 91514348
tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium
CID 23232448
1,2,3,4-tetramethyl-5-(2-methylsulfanylethyl)cyclopentane
CID 155117179
1-butyl-2-methyl-3-propan-2-ylcyclopropane
CID 91545202
methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate
CID 59909521
carbanide;propan-2-yl(1-propan-2-ylazanidylethyl)azanide;zirconium
CID 58635676

Frequently Asked Questions

What is the IUPAC name of carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium?
The IUPAC name of carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium (CID 59887640) is carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium.
What is the SMILES notation for carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium?
The canonical SMILES for carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium is C[N-]C(C)[N-]CCCC1C(C)C(C)C(C)C1C.[CH3-].[CH3-].[CH3-].[Zr].
What is the InChIKey of carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium?
The InChIKey is UPBPHKSXUPMXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.3CH3.Zr/c1-10-11(2)13(4)15(12(10)3)8-7-9-17-14(5)16-6;;;;/h10-15H,7-9H2,1-6H3;3*1H3;/q-2;3*-1;.
What are the key properties of carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium?
carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium has a molecular weight of 374.75 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium is sourced from PubChem (CID 59887640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).