CID 6398001

C12H22Ga2N2 — CID 6398001

IUPAC—
SMILESCC(C)(C)N1C2[Ga]C2N(C(C)(C)C)C2[Ga]C21
InChIInChI=1S/C12H22N2.2Ga/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;;/h7-10H,1-6H3;;
InChIKeyQMQKINPXFNNNHE-UHFFFAOYSA-N
MW333.77 g/mol
LogP0.94
Rot. Bonds

About CID 6398001

CID 6398001 (PubChem CID 6398001) has the molecular formula C12H22Ga2N2 and a molecular weight of 333.77 g/mol.

Molecular Properties

Compound NameCID 6398001
PubChem CID6398001
Molecular FormulaC12H22Ga2N2
Molecular Weight333.77 g/mol
Exact Mass332.03
IUPAC Name—
SMILESCC(C)(C)N1C2[Ga]C2N(C(C)(C)C)C2[Ga]C21
InChIInChI=1S/C12H22N2.2Ga/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;;/h7-10H,1-6H3;;
InChIKeyQMQKINPXFNNNHE-UHFFFAOYSA-N
XLogP0.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
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8-tert-butyl-3-[(6-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841524
(1R,4Z,8S)-9-tert-butyl-9-azabicyclo[6.1.0]non-4-ene
CID 170283660
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6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
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6-tert-butyl-1,2,2,4,4,5,7,7-octadeuterio-3,6-diazabicyclo[3.1.1]heptane
CID 176728426
2,3-ditert-butyl-2-azabicyclo[2.2.2]octane
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Frequently Asked Questions

What is the IUPAC name of CID 6398001?
The IUPAC name of CID 6398001 (CID 6398001) is not available.
What is the SMILES notation for CID 6398001?
The canonical SMILES for CID 6398001 is CC(C)(C)N1C2[Ga]C2N(C(C)(C)C)C2[Ga]C21.
What is the InChIKey of CID 6398001?
The InChIKey is QMQKINPXFNNNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.2Ga/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;;/h7-10H,1-6H3;;.
What are the key properties of CID 6398001?
CID 6398001 has a molecular weight of 333.77 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6398001 is sourced from PubChem (CID 6398001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).