N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium

C9H13Br2N2Ti- — CID 23578225

IUPACN-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium
SMILESBr[Ti]Br.CC(C)(C)/N=C/c1ccc[n-]1
InChIInChI=1S/C9H13N2.2BrH.Ti/c1-9(2,3)11-7-8-5-4-6-10-8;;;/h4-7H,1-3H3;2*1H;/q-1;;;+2/p-2/b11-7+;;;
InChIKeyABQGOHPPZXVAQU-DLEJXUKQSA-L
MW356.89 g/mol
LogP3.55
Rot. Bonds1

About N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium

N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium (PubChem CID 23578225) has the molecular formula C9H13Br2N2Ti- and a molecular weight of 356.89 g/mol. Its IUPAC name is N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium.

Molecular Properties

Compound NameN-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium
PubChem CID23578225
Molecular FormulaC9H13Br2N2Ti-
Molecular Weight356.89 g/mol
Exact Mass354.89
IUPAC NameN-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium
SMILESBr[Ti]Br.CC(C)(C)/N=C/c1ccc[n-]1
InChIInChI=1S/C9H13N2.2BrH.Ti/c1-9(2,3)11-7-8-5-4-6-10-8;;;/h4-7H,1-3H3;2*1H;/q-1;;;+2/p-2/b11-7+;;;
InChIKeyABQGOHPPZXVAQU-DLEJXUKQSA-L
XLogP3.55
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-Pyrrolidinoethyl)pyridine
CID 238317
4,4-Difluoro-4-bora-3a,4a-diaza-s-indacene
CID 25058173
methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1096385
1-Methylpyrrole-2-carbonitrile
CID 2064111
1,2-Dimethyl-1H-pyrrole
CID 3826198
1H-Pyrrole-2-acetonitrile, 1-methyl-
CID 90501
methyl[(1-methyl-1H-pyrrol-2-yl)methyl]prop-2-yn-1-ylamine
CID 16110302
2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridine
CID 44455952
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]pyridine
CID 44455953
Malononitrile, (1-methylpyrrol-2-ylmethylene)-
CID 54422
2-Isopropenylpyridine
CID 81007
(1-methyl-1H-pyrrol-2-yl)methanamine
CID 2776207

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium?
The IUPAC name of N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium (CID 23578225) is N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium.
What is the SMILES notation for N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium?
The canonical SMILES for N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium is Br[Ti]Br.CC(C)(C)/N=C/c1ccc[n-]1.
What is the InChIKey of N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium?
The InChIKey is ABQGOHPPZXVAQU-DLEJXUKQSA-L. The full InChI is InChI=1S/C9H13N2.2BrH.Ti/c1-9(2,3)11-7-8-5-4-6-10-8;;;/h4-7H,1-3H3;2*1H;/q-1;;;+2/p-2/b11-7+;;;.
What are the key properties of N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium?
N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium has a molecular weight of 356.89 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium is sourced from PubChem (CID 23578225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).