zinc tetrakis(4-pentan-3-ylpyridine)

C40H60N4Zn+2 — CID 50909730

IUPACzinc tetrakis(4-pentan-3-ylpyridine)
SMILESCCC(CC)c1ccncc1.CCC(CC)c1ccncc1.CCC(CC)c1ccncc1.CCC(CC)c1ccncc1.[Zn+2]
InChIInChI=1S/4C10H15N.Zn/c4*1-3-9(4-2)10-5-7-11-8-6-10;/h4*5-9H,3-4H2,1-2H3;/q;;;;+2
InChIKeyNZARDWXGVPDJFU-UHFFFAOYSA-N
MW662.34 g/mol
LogP11.94
Rot. Bonds12

About zinc tetrakis(4-pentan-3-ylpyridine)

zinc tetrakis(4-pentan-3-ylpyridine) (PubChem CID 50909730) has the molecular formula C40H60N4Zn+2 and a molecular weight of 662.34 g/mol. Its IUPAC name is zinc tetrakis(4-pentan-3-ylpyridine).

Molecular Properties

Compound Namezinc tetrakis(4-pentan-3-ylpyridine)
PubChem CID50909730
Molecular FormulaC40H60N4Zn+2
Molecular Weight662.34 g/mol
Exact Mass660.41
IUPAC Namezinc tetrakis(4-pentan-3-ylpyridine)
SMILESCCC(CC)c1ccncc1.CCC(CC)c1ccncc1.CCC(CC)c1ccncc1.CCC(CC)c1ccncc1.[Zn+2]
InChIInChI=1S/4C10H15N.Zn/c4*1-3-9(4-2)10-5-7-11-8-6-10;/h4*5-9H,3-4H2,1-2H3;/q;;;;+2
InChIKeyNZARDWXGVPDJFU-UHFFFAOYSA-N
XLogP11.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.34
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chlorobutan-2-yl)pyridine
CID 141093425
4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine
CID 18346387
N,N-dimethyl-2-pyridin-4-ylbutan-1-amine
CID 163259117
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
4-(2,6-diphenyloctan-4-yl)pyridine;methane
CID 157478380
4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine
CID 139296538
N-methyl-2-pyridin-4-ylpentan-1-amine
CID 116824893
azane;pentan-3-ylbenzene
CID 19774895
N-(1-pyridin-4-ylpropyl)pentan-3-amine
CID 115723436
4-[(2Z,7Z)-nona-2,7-dien-5-yl]pyridine
CID 6000004
N-[(1R)-1-pyridin-4-ylpropyl]hydroxylamine
CID 130707242
6-pentan-3-ylisoquinoline
CID 126576058

Frequently Asked Questions

What is the IUPAC name of zinc tetrakis(4-pentan-3-ylpyridine)?
The IUPAC name of zinc tetrakis(4-pentan-3-ylpyridine) (CID 50909730) is zinc tetrakis(4-pentan-3-ylpyridine).
What is the SMILES notation for zinc tetrakis(4-pentan-3-ylpyridine)?
The canonical SMILES for zinc tetrakis(4-pentan-3-ylpyridine) is CCC(CC)c1ccncc1.CCC(CC)c1ccncc1.CCC(CC)c1ccncc1.CCC(CC)c1ccncc1.[Zn+2].
What is the InChIKey of zinc tetrakis(4-pentan-3-ylpyridine)?
The InChIKey is NZARDWXGVPDJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H15N.Zn/c4*1-3-9(4-2)10-5-7-11-8-6-10;/h4*5-9H,3-4H2,1-2H3;/q;;;;+2.
What are the key properties of zinc tetrakis(4-pentan-3-ylpyridine)?
zinc tetrakis(4-pentan-3-ylpyridine) has a molecular weight of 662.34 g/mol, XLogP of 11.94, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc tetrakis(4-pentan-3-ylpyridine) is sourced from PubChem (CID 50909730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).