N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine

C12H23N — CID 122663401

IUPACN-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine
SMILES[3H]/C(=C(C)/N=C(\[3H])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(8-11(2,3)4)13-9-12(5,6)7/h8-9H,1-7H3/b10-8-,13-9+/i8T,9T
InChIKeyBMWPSYFSTWFSJM-NRSLHZDHSA-N
MW185.34 g/mol
LogP4.05
Rot. Bonds1

About N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine

N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine (PubChem CID 122663401) has the molecular formula C12H23N and a molecular weight of 185.34 g/mol. Its IUPAC name is N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine.

Molecular Properties

Compound NameN-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine
PubChem CID122663401
Molecular FormulaC12H23N
Molecular Weight185.34 g/mol
Exact Mass185.20
IUPAC NameN-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine
SMILES[3H]/C(=C(C)/N=C(\[3H])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(8-11(2,3)4)13-9-12(5,6)7/h8-9H,1-7H3/b10-8-,13-9+/i8T,9T
InChIKeyBMWPSYFSTWFSJM-NRSLHZDHSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine?
The IUPAC name of N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine (CID 122663401) is N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine.
What is the SMILES notation for N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine?
The canonical SMILES for N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine is [3H]/C(=C(C)/N=C(\[3H])C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine?
The InChIKey is BMWPSYFSTWFSJM-NRSLHZDHSA-N. The full InChI is InChI=1S/C12H23N/c1-10(8-11(2,3)4)13-9-12(5,6)7/h8-9H,1-7H3/b10-8-,13-9+/i8T,9T.
What are the key properties of N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine?
N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine has a molecular weight of 185.34 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine is sourced from PubChem (CID 122663401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).