bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane)

C28H60Cl2N2Ti2+2 — CID 23230431

IUPACbis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane)
SMILESCC(C)(C)[NH-].CC(C)(C)[NH-].CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.Cl[Ti+3].Cl[Ti+]
InChIInChI=1S/2C10H20.2C4H10N.2ClH.2Ti/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-4(2,3)5;;;;/h2*6-10H,1-5H3;2*5H,1-3H3;2*1H;;/q;;2*-1;;;+2;+4/p-2
InChIKeyXCXXDNWUXNIODA-UHFFFAOYSA-L
MW591.44 g/mol
LogP11.41
Rot. Bonds

About bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane)

bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane) (PubChem CID 23230431) has the molecular formula C28H60Cl2N2Ti2+2 and a molecular weight of 591.44 g/mol. Its IUPAC name is bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane).

Molecular Properties

Compound Namebis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane)
PubChem CID23230431
Molecular FormulaC28H60Cl2N2Ti2+2
Molecular Weight591.44 g/mol
Exact Mass590.31
IUPAC Namebis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane)
SMILESCC(C)(C)[NH-].CC(C)(C)[NH-].CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.Cl[Ti+3].Cl[Ti+]
InChIInChI=1S/2C10H20.2C4H10N.2ClH.2Ti/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-4(2,3)5;;;;/h2*6-10H,1-5H3;2*5H,1-3H3;2*1H;;/q;;2*-1;;;+2;+4/p-2
InChIKeyXCXXDNWUXNIODA-UHFFFAOYSA-L
XLogP11.41
TPSA47.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.44
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

lithium tert-butylazanide
CID 10964401
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
tert-butylazanide;silane;titanium
CID 173258856
azanide;tert-butylazanide;dichloroplatinum(2+)
CID 140897483
(1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane
CID 58219597
carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)
CID 23229957
bis(dichlororhodium);bis(1,2,3,4,5-pentamethylcyclopentane)
CID 74890113
bis(tert-butylazanide);tetrakis(cyclopentane);bis(dysprosium(3+))
CID 23232748
bis(tert-butylazanide);carbanide;silane;titanium(2+);dichloride
CID 173212646
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)
CID 23231302
carbanide;iridium tetrahydride;1,2,3,4,5-pentamethylcyclopentane
CID 162298825
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)
CID 162297700

Frequently Asked Questions

What is the IUPAC name of bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane)?
The IUPAC name of bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane) (CID 23230431) is bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane).
What is the SMILES notation for bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane)?
The canonical SMILES for bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane) is CC(C)(C)[NH-].CC(C)(C)[NH-].CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.Cl[Ti+3].Cl[Ti+].
What is the InChIKey of bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane)?
The InChIKey is XCXXDNWUXNIODA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H20.2C4H10N.2ClH.2Ti/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-4(2,3)5;;;;/h2*6-10H,1-5H3;2*5H,1-3H3;2*1H;;/q;;2*-1;;;+2;+4/p-2.
What are the key properties of bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane)?
bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane) has a molecular weight of 591.44 g/mol, XLogP of 11.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane) is sourced from PubChem (CID 23230431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).